data_1mr0_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 1mr0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 3' ' ' ARG . 1.4 t -134.29 147.83 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 5.9 mmm-85 -80.04 168.12 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 8.8 tt -60.93 -53.35 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 26.1 t-80 -84.4 46.37 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.537 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -141.56 107.96 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.46 156.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -130.01 8.39 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 108.36 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 10.3 mt -38.71 115.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.63 64.42 1.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.66 179.34 5.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 0.811 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -132.62 -3.0 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.14 152.7 76.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.66 121.32 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -26.77 8.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 37.6 m-20 -94.55 115.05 64.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.21 9.78 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -100.96 159.54 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.12 109.01 7.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -65.92 91.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -124.67 155.89 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -108.82 127.5 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -70.06 -47.57 61.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -90.35 -156.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -67.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.1 73.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -148.56 -85.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -84.42 121.79 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 t -144.74 114.7 7.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.616 1.197 . . . . 0.0 108.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.2 -179.66 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -86.63 118.85 26.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 11.9 tpt85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.56 136.57 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.65 170.93 14.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.231 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -65.28 -49.59 68.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.09 45.62 1.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' SER . 52.0 mt-10 -138.17 106.08 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.61 148.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.889 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.61 2.82 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -58.17 115.72 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.14 30.29 77.03 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.493 1.12 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 2.9 pt20 -74.93 173.55 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.759 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.86 -2.92 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.94 152.72 70.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 116.2 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.366 1.042 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.4 -31.72 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.331 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -83.53 114.66 54.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.68 9.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.432 1.754 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.28 29.74 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.16 156.78 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -133.51 98.06 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.15 84.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.8 t80 -98.35 147.85 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -120.04 126.55 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 108.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -69.06 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -154.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.213 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -76.82 -63.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -146.96 78.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 9' ' ' LEU . . . -155.79 -72.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -92.84 106.69 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.96 114.69 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.23 173.34 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -76.97 126.3 30.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.46 HG12 ' CB ' ' A' ' 6' ' ' GLU . 2.0 t -143.9 148.14 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.9 mmp_? -85.51 169.23 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.482 HD13 ' CB ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -57.64 -53.64 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 45.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.533 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.3 mt-10 -138.32 111.18 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.0 141.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.1 t -126.16 5.13 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -56.84 131.0 48.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.07 56.45 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.26 144.07 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.39 -5.34 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.89 152.59 70.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -174.09 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' HG11 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -103.63 124.16 48.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.269 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.36 -27.15 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' CB ' HD13 ' A' ' 4' ' ' LEU . 20.6 m-20 -91.2 113.25 57.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.81 12.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 23.04 2.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . . . -109.8 163.78 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -136.99 119.17 15.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -71.77 84.17 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -110.97 152.01 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -123.71 125.77 45.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.54 -65.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -156.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.19 -63.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -146.56 76.51 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.59 -79.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -84.33 107.01 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.1 t -146.03 120.45 9.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.09 -165.11 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' LEU . 1.2 m -101.73 105.07 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 108.354 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' PRO . 1.4 t -133.81 134.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.15 38.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.206 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -50.93 -38.13 48.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.35 44.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' SER . 88.4 mt-10 -145.46 110.12 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -37.16 154.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -123.37 5.71 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 108.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 9.0 mt -41.91 115.83 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.18 50.11 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.625 1.203 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.3 pm0 -81.36 143.53 32.12 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 0.798 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.56 -13.35 23.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.74 151.7 42.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.94 170.5 20.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.8 127.63 35.01 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.1 m -47.2 -50.1 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -83.31 118.46 71.64 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -25.68 11.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.13 28.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.75 170.2 9.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.44 99.6 3.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.0 t -60.58 84.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 108.267 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.1 t80 -97.32 146.66 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.365 1.041 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.9 m -119.15 125.9 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.354 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.61 -66.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -155.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.2 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.57 77.41 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.42 -80.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.79 108.89 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.8 t -146.84 114.57 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 174.93 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -76.82 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.49 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.517 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -107.18 142.71 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.12 160.45 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.1 tp -49.61 -48.74 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.96 45.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 15.0 mt-10 -145.97 112.17 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.97 154.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 18.7 t -126.46 9.04 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.637 1.21 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' GLY . 5.6 mt -39.91 117.43 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.72 62.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.62 139.46 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.72 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -95.75 -5.35 42.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -112.05 152.72 44.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -177.56 3.56 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.56 1.821 . . . . 0.0 110.992 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.31 123.9 31.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 108.222 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.68 -25.5 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 108.377 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -104.92 137.63 19.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.29 11.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.454 1.765 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.03 28.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -132.93 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -142.11 145.42 34.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.23 82.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.268 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.6 t80 -110.68 144.46 39.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -128.24 126.75 41.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.32 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -63.98 -60.57 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.31 -157.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -147.35 76.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.89 -39.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -130.75 109.5 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -147.44 119.32 8.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.41 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.2 -163.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 4.0 m -92.19 79.9 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.483 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -135.27 132.55 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 163.66 22.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.17 47.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 42.0 mt-10 -139.03 113.6 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -35.14 150.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.2 t -124.4 2.07 8.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -48.26 124.61 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.27 63.02 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.618 1.199 . . . . 0.0 111.048 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.7 136.12 36.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 0.795 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -95.51 -15.9 22.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -106.6 155.89 38.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 178.68 6.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.1 m -101.3 124.86 47.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -28.07 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.66 116.89 67.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.65 28.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -114.44 159.72 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.62 132.78 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.01 83.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 t80 -103.47 145.27 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.83 125.96 42.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.19 . . . . 0.0 108.244 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -65.72 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.31 -156.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -77.26 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.04 76.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.43 -79.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -85.66 110.31 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.5 t -146.46 119.9 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -145.32 -163.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.03 100.16 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.26 136.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -73.88 165.46 25.09 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -56.92 -53.25 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.16 45.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.4 mt-10 -139.39 109.31 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.33 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.48 1.3 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -43.19 115.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.42 55.53 3.09 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -83.01 151.51 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.381 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.32 -31.51 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -107.65 155.88 38.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 131.64 36.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.651 1.219 . . . . 0.0 108.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 85.7 m -51.17 -44.9 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' CB ' HD11 ' A' ' 4' ' ' LEU . 6.6 m-20 -88.42 116.45 66.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.45 12.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.77 25.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.34 165.17 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -131.79 99.03 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.96 85.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 108.235 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -100.83 148.48 24.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -119.36 126.61 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -67.61 -66.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.98 -156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -76.84 -62.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -146.39 77.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.6 -78.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -86.72 108.69 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.71 114.6 6.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.337 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.33 174.94 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -78.7 128.68 33.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.43 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -136.0 143.77 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 2.6 mmp_? -86.66 169.96 12.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -56.35 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -84.99 47.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.583 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.8 mt-10 -135.26 111.33 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.09 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.21 2.88 8.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLY . 1.4 mt -44.82 124.7 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 33.36 62.62 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.15 137.72 33.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 0.753 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -15.22 23.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.96 151.95 42.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.378 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.424 1.75 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 3.5 t -98.38 125.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.245 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.55 -26.51 32.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.244 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' OD2' ' NH2' ' A' ' 3' ' ' ARG . 5.0 m-20 -89.27 128.83 49.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.61 8.02 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.55 28.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . . . -107.94 129.71 55.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.9 p -122.22 127.82 50.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.85 83.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.0 t80 -99.91 145.89 27.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -129.85 124.15 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -64.57 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -156.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.98 -62.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -146.39 76.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -79.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.2 m-85 -84.56 107.95 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.8 t -146.87 122.23 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.33 -164.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 3.3 m -93.41 106.99 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 37.2 t -105.03 132.06 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -79.2 160.94 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -48.67 -41.6 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.57 48.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.38 1.05 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.545 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 10.7 mt-10 -145.44 115.72 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.6 t -126.37 3.97 6.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.1 mt -47.77 106.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.01 45.08 95.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -74.92 130.78 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.244 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.94 -13.44 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.57 157.59 43.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 168.6 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.84 134.07 43.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 16.3 m -55.81 -39.63 71.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.38 142.74 26.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.67 10.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.99 27.79 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -116.59 140.7 49.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -140.37 137.9 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.81 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.172 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.5 t80 -107.47 143.72 35.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.98 126.76 43.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.17 . . . . 0.0 108.365 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -66.53 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.13 -156.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -63.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -146.32 77.02 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.51 -79.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -84.86 109.62 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.5 t -146.86 120.7 9.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.218 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.69 -164.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.628 1.205 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 22.9 m -86.95 100.44 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' NH1' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.425 ' N ' HG13 ' A' ' 13' ' ' VAL . 4.5 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.01 148.89 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.587 1.179 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.7 mmp_? -77.66 161.06 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.471 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 tt -60.53 -43.44 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.356 1.035 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -92.25 46.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.535 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 78.6 mt-10 -142.61 109.11 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.08 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.06 8.51 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 4.2 mt -45.07 107.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.404 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.52 46.02 94.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 3.0 pt20 -85.57 173.83 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -133.14 -2.96 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.28 150.82 45.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.25 4.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -82.65 113.34 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 108.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -36.47 68.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -60.81 164.65 7.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -83.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.32 46.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' CB ' ' CB ' ' A' ' 17' ' ' ASP . . . -98.1 145.05 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -142.91 126.67 17.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.459 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.38 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 108.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.3 t80 -94.2 142.61 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.367 1.042 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -122.22 124.39 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.53 -66.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.75 -156.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -77.19 -63.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.33 77.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.42 -72.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -92.32 107.37 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.08 115.57 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.61 176.02 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 m -72.01 126.0 28.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 108.334 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 tpt85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 -179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.478 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -137.12 143.31 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 168.83 19.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.413 1.071 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -64.86 -55.94 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.94 45.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.561 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 19.9 mt-10 -136.66 107.08 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.63 1.206 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -37.57 153.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.28 -0.54 11.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.597 1.186 . . . . 0.0 108.267 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' CYS . 11.7 mt -37.57 116.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.55 64.2 2.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.179 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.04 171.04 8.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -132.68 -2.92 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.29 154.37 81.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 179.94 5.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.78 124.94 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.28 -27.48 46.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.5 124.48 60.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.37 9.15 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.531 1.806 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.82 30.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 137.0 54.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -126.21 124.8 41.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.37 80.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' THR . 19.4 t80 -94.24 141.68 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -124.79 130.75 52.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.15 -36.94 77.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.04 -165.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -47.21 15.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -146.19 74.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -94.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.7 m-85 -84.6 117.35 23.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -148.63 113.31 5.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.6 m -88.25 118.23 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 108.351 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.441 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -135.09 132.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.317 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 174.28 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -62.04 -52.36 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -86.27 46.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.523 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -135.29 110.73 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.476 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -125.63 3.3 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 1.3 pp -64.11 107.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.53 62.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -76.35 130.97 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.251 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -16.98 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.36 155.48 41.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 175.41 11.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 5.3 t -94.59 122.53 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -36.23 66.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.14 121.21 78.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.18 4.5 30.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -92.61 146.44 23.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -134.83 127.71 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.92 82.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 108.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.5 t80 -103.55 143.03 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -131.13 124.0 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 108.23 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.2 tpp180 -65.31 -56.56 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -156.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.36 -65.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -146.74 76.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.03 -39.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 m-85 -131.31 103.27 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.8 t -147.73 119.26 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -146.84 -163.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 6.0 m -95.92 100.67 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.423 ' NH1' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -135.02 130.46 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -85.81 173.63 9.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.98 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -84.84 45.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.652 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 87.1 mt-10 -139.13 108.4 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -35.36 145.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -120.37 5.41 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 133.99 47.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.202 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.47 32.46 10.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -75.09 166.13 24.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -132.75 -2.77 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.76 155.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 4.5 t -90.18 117.08 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -29.93 20.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . 3.9 m-20 -88.11 116.45 66.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.372 1.045 . . . . 0.0 109.352 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.78 9.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.64 6.42 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.391 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 17' ' ' ASP . . . -85.86 165.35 16.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.18 112.03 5.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.467 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.95 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.4 t80 -111.36 147.03 36.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -126.6 128.3 46.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.572 1.17 . . . . 0.0 108.334 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -64.37 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -154.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.13 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -146.91 29.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.04 -84.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -84.48 114.9 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.93 118.13 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -147.66 -165.51 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.7 m -99.11 112.14 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.158 . . . . 0.0 108.237 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.451 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -105.58 137.6 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.451 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -86.49 157.64 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' CA ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -54.84 -41.86 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.98 44.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' SER . 36.3 mt-10 -145.72 111.89 5.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.647 1.217 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -37.23 154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -122.16 0.58 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 108.371 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 39.0 mt -37.14 111.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.64 49.18 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.6 pm0 -74.73 143.83 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -14.42 23.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 110.202 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.44 152.09 41.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.6 Cg_endo -74.88 168.76 24.1 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.58 115.32 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -26.5 12.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' OD2' ' CA ' ' A' ' 4' ' ' LEU . 54.9 m-20 -67.44 142.96 96.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -83.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.96 52.67 2.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 109.385 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . -79.94 162.14 25.11 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.5 96.31 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.86 86.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 25.6 t80 -96.94 145.69 25.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.1 m -120.93 125.11 46.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.7 tpp180 -65.61 -66.42 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -156.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -77.24 -62.83 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.12 77.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.39 -70.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.19 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -95.13 110.4 22.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.4 t -147.22 115.1 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.348 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -142.69 173.44 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.1 m -74.46 129.74 38.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.328 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 7.2 p . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.8 t -106.08 146.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 3' ' ' ARG . 22.1 mmm-85 -85.95 173.83 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.51 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.02 -47.58 76.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 45.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' SER . 20.1 mt-10 -146.38 108.37 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -39.41 153.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.89 3.04 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 108.316 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 3.3 mt -37.51 119.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.78 50.99 18.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 2.0 tt0 -94.23 130.1 40.6 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.433 0.725 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -24.11 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.608 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -94.88 156.55 37.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.52 136.56 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' VAL . 46.3 m -51.07 -39.25 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 108.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -97.7 117.89 64.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -24.02 13.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.1 23.77 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.17 165.26 11.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.76 104.87 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.437 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.26 84.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.248 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.0 t80 -98.73 147.78 24.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 111.014 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -119.21 127.16 53.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.93 -66.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -156.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -77.07 -62.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -146.25 77.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.55 -79.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.188 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -84.67 108.54 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.8 t -146.8 114.89 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.356 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.91 172.8 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.77 125.7 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.221 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' C ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -139.16 148.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -86.71 175.13 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -63.37 -55.85 21.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -85.58 45.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.526 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' SER . 48.3 mt-10 -134.03 107.76 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.26 143.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.5 t -123.72 8.93 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -68.59 128.97 38.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.87 44.48 81.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.08 169.22 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.737 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.9 -1.82 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.13 155.28 68.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.22 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.437 1.756 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 1.1 t -103.97 121.52 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 108.395 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -29.99 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' CB ' HD13 ' A' ' 4' ' ' LEU . 5.1 m-20 -82.59 127.96 68.4 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -29.44 8.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.69 32.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -115.56 134.36 55.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -124.8 116.2 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.452 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.61 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 108.333 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.4 t80 -109.53 147.47 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.98 133.46 50.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.327 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -65.6 -39.57 91.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.67 -165.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -78.93 -48.17 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.81 75.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.15 113.76 21.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 4.7 t -146.91 117.99 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 108.364 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -147.26 -164.82 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 6.1 m -97.44 107.01 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.483 HG11 ' CB ' ' A' ' 6' ' ' GLU . 2.5 t -136.72 139.09 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 165.84 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -53.7 -48.4 69.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -88.94 45.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.555 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.483 ' CB ' HG11 ' A' ' 2' ' ' VAL . 21.2 mt-10 -143.05 113.21 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.76 150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.106 . . . . 0.0 110.048 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 4.3 t -129.5 8.92 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 108.254 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 131.71 37.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.43 16.15 66.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.23 127.72 41.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 0.0 110.366 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -3.74 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -100.79 156.41 35.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.39 1.731 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.94 122.86 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 108.309 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -26.35 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 112.47 60.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.32 10.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.06 30.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.95 175.03 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.35 92.84 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 7.8 t -63.67 79.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 24' ' ' CYS . 15.8 t80 -130.43 158.26 40.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -114.29 135.36 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.401 1.063 . . . . 0.0 108.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -47.65 76.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.372 1.045 . . . . 0.0 110.301 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.589 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.8 t80 -87.93 -155.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.63 -67.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.94 75.31 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.12 -84.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 3.4 m-85 -84.28 97.8 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.7 t -126.96 117.55 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -146.15 -168.12 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' LEU . 1.2 m -95.93 112.29 24.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' C ' ' OG1' ' A' ' 21' ' ' THR . 5.2 tpt85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.507 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 53.7 t -133.67 118.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.406 HH21 ' N ' ' A' ' 17' ' ' ASP . 1.2 mmp_? -80.57 162.15 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 33' ' ' CYS . 2.0 tp -46.65 -35.88 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 45.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.495 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 21.3 mt-10 -145.38 109.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -46.69 152.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.0 t -115.44 -0.32 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -46.55 121.99 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.54 45.01 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' CD ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -74.71 176.16 7.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 0.797 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -132.7 -2.61 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.97 152.92 67.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.15 2.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 m -92.74 115.54 28.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -52.56 13.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' HH21 ' A' ' 3' ' ' ARG . 0.7 OUTLIER -73.81 134.11 78.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.59 5.89 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.82 144.78 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -145.41 156.17 43.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 t -60.42 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.8 t80 -102.34 150.51 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 45.7 m -130.17 133.83 46.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 108.328 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -75.85 -65.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.86 -155.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -77.07 -63.46 1.36 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.26 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -70.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -86.83 115.85 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' SER . 67.9 m -146.43 114.11 6.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.75 -166.05 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 2' ' ' VAL . 13.8 m -85.47 81.99 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.319 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.471 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG2' ' OE1' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -106.2 146.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.42 171.98 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -63.91 -53.36 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.75 46.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.64 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -139.44 108.11 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -39.11 155.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -122.35 1.12 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 108.343 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 mt -36.93 127.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.37 50.83 4.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.508 ' OE1' ' CG2' ' A' ' 2' ' ' VAL . 9.0 tt0 -89.93 158.44 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.757 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 36.9 tt0 -133.09 -4.59 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -112.11 156.59 41.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.4 1.737 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.3 133.09 36.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 55.0 m -51.54 -41.64 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.12 127.61 54.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.23 10.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.96 29.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -115.08 120.9 41.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -108.98 122.19 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 40.0 t -60.04 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.6 t80 -93.83 141.59 28.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -120.53 124.99 46.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 108.349 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.03 -65.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -155.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -62.24 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.367 1.042 . . . . 0.0 111.012 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.33 77.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -80.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.58 108.46 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -146.67 116.65 7.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.635 1.21 . . . . 0.0 108.307 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.11 -176.81 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.8 m -83.55 115.75 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' PRO . 1.4 t -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.403 1.064 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CZ ' ' OD2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -85.35 162.22 19.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 7.4 tt -55.86 -52.37 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -84.85 46.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.5 mt-10 -142.03 108.98 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.76 155.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.95 6.71 7.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -43.72 116.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.58 42.54 4.67 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 2.9 pt20 -76.67 144.58 39.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -16.27 21.3 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.16 146.08 35.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.777 . . . . 0.0 111.018 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 m -90.53 118.2 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.348 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -31.38 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 3' ' ' ARG . 17.4 m-20 -82.46 117.99 70.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.92 10.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.376 1.724 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.35 25.07 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 17' ' ' ASP . . . -116.18 134.0 55.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -113.2 114.03 26.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.84 89.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -126.69 158.85 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -112.31 128.18 56.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -46.42 80.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.588 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -89.67 -154.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -68.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -147.7 72.19 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.04 -78.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 4.5 m-30 -86.72 107.72 18.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.063 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 7' ' ' SER . 82.5 m -126.13 112.23 15.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -145.73 -175.6 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 111.077 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -92.51 119.61 32.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 13.0 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG2' ' CD ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -133.92 134.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.462 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 1.9 mmp_? -79.22 173.31 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -59.28 -58.6 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -84.04 47.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.56 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 27.4 mt-10 -134.22 106.73 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.66 152.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.86 -4.83 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.85 120.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.28 63.8 2.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.497 ' CD ' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -95.3 165.34 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.27 -3.19 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -129.49 157.08 77.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' SG ' HG13 ' A' ' 2' ' ' VAL . 7.5 t -90.22 121.56 32.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 108.238 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.32 -26.48 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 12.4 m-20 -86.99 122.28 71.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -32.69 5.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.4 38.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.14 153.73 32.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.81 118.36 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.6 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.345 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.9 t80 -94.54 146.44 24.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 37.8 m -126.04 129.78 49.84 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -76.66 -64.71 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -157.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.6 -63.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -145.91 77.02 1.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.53 -71.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.1 m-85 -87.4 115.68 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 44.5 m -145.3 112.05 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.65 -179.13 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 8.3 m -78.61 113.87 17.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.251 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.3 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.3 t -106.21 139.37 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -74.4 171.94 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -65.22 -47.23 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -86.85 44.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.556 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -141.49 106.89 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -40.75 149.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.55 3.75 10.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 108.202 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.28 115.39 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.46 21.4 79.58 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 2.5 pt20 -78.3 165.16 24.19 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.458 0.74 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.89 -3.9 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.21 155.33 48.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.91 167.76 26.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.0 133.15 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 57.1 m -53.67 -41.63 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 108.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.09 119.14 71.52 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.72 11.56 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' CB ' HD11 ' A' ' 4' ' ' LEU . . . -110.63 158.08 18.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -134.64 115.21 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 85.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.341 1.026 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.0 t80 -93.63 143.42 26.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -125.82 123.34 38.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.319 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.55 -60.78 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -156.19 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.01 -64.48 1.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.23 77.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.17 -40.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -131.53 111.03 11.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -147.83 113.15 5.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.33 171.83 14.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.97 125.28 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.402 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -88.52 132.33 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.383 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 9.0 mmm-85 -83.54 164.06 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 110.339 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -51.82 -41.36 61.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 47.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.644 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 20.9 mt-10 -140.28 108.62 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -43.73 154.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.9 -3.42 11.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.283 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 31.0 mt -40.0 111.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.35 43.8 14.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.394 1.059 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -74.71 174.16 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 110.304 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.48 -1.58 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.208 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -123.1 148.94 55.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 172.54 16.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 m -74.77 114.58 13.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.607 1.192 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.17 -28.02 1.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.42 132.8 23.55 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.08 7.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.9 25.95 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.74 159.44 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.68 90.42 2.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -47.12 90.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.264 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.6 t80 -104.48 145.45 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -123.2 128.17 49.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 108.216 -179.9 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.16 -166.67 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 -47.1 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.9 73.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.21 -95.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m-85 -84.48 114.66 22.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.7 t -148.0 114.81 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.415 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -146.85 171.26 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.971 -179.904 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' LEU . 44.5 m -66.02 108.46 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.498 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -134.91 127.84 49.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.5 mmp_? -79.62 174.87 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -61.79 -49.31 76.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 16.5 p-80 -86.8 45.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.53 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' SER . 47.3 mt-10 -138.44 110.58 7.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.3 147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.67 4.17 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 136.12 50.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.49 45.71 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.498 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -96.05 167.36 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.435 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.46 -2.87 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.91 153.38 47.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 5.6 t -105.36 116.72 32.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -30.97 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 39.6 m-20 -87.76 122.21 70.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -27.43 10.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.53 30.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -116.73 128.13 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.1 p -115.76 129.91 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.87 82.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.6 t80 -99.95 146.89 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -131.62 122.48 26.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.46 -50.22 70.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -160.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.52 75.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.39 -83.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.328 1.018 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 77.6 m-85 -84.5 106.85 16.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -146.27 121.91 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.424 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -146.69 -165.18 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 2.1 m -93.13 112.14 24.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.09 142.08 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.408 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.91 164.2 26.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 3.1 tt -60.34 -54.03 50.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.38 46.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.669 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' SER . 46.0 mt-10 -139.32 108.43 6.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.4 153.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.65 -0.46 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -39.12 110.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.12 61.75 5.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.18 141.95 28.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -95.6 -18.81 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -114.39 152.57 46.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -94.64 124.28 38.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 108.222 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -33.69 62.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.44 123.66 78.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.32 7.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.02 33.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.17 134.86 54.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -120.99 119.36 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 110.346 -179.884 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 48.6 t -59.31 83.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.352 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 t80 -94.23 141.37 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.22 123.46 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 108.3 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.58 -43.05 95.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.54 -164.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -52.01 9.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -148.48 75.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.84 -48.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.2 m-85 -132.86 114.7 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -149.6 112.45 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.78 -175.58 4.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 111.097 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.451 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.4 m -89.16 117.46 28.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 8.6 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -133.22 145.2 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.496 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.38 165.88 24.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.219 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -63.22 -54.2 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -84.74 46.04 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' SER . 25.0 mt-10 -138.96 108.3 6.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.58 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.953 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -127.13 6.22 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 13.4 mt -38.94 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 63.77 51.08 56.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.2 pt20 -89.11 132.54 34.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -95.75 -10.95 27.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.9 156.17 43.05 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.619 1.852 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.32 131.58 41.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 73.0 m -51.06 -43.84 61.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.9 122.16 72.89 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.335 1.022 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.04 11.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.21 29.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.91 146.69 30.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -122.64 101.83 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -63.74 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.1 t80 -100.21 150.89 22.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -120.69 124.64 45.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -65.85 -65.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.45 -155.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.94 -63.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.06 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -146.45 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.56 -71.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -95.1 107.81 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.97 113.8 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -146.54 174.16 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.45 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.3 m -78.9 117.87 20.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 41.2 t -134.08 120.04 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.61 162.85 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.38 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.459 HD23 ' CZ ' ' A' ' 34' ' ' ARG . 7.4 tp -48.55 -36.86 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.57 46.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 109.539 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 30.5 mt-10 -143.75 109.92 5.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.94 157.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.67 -3.09 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 27.6 mt -39.58 113.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.79 44.32 8.56 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.397 1.06 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.522 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -76.78 172.23 13.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 0.798 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -133.76 -2.72 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.54 153.36 50.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.04 116.49 17.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 108.244 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' CB ' ' HD3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -55.71 -42.28 75.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.349 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -56.36 160.01 5.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.93 45.62 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . -80.56 159.72 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.83 104.49 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.71 88.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.267 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.1 t80 -99.19 145.29 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.54 127.64 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.918 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.5 -40.98 96.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -166.08 1.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -79.73 -48.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -145.92 74.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.48 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.1 m-85 -84.68 113.1 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.25 115.09 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.254 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.33 172.93 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 2' ' ' VAL . 57.0 m -70.29 116.61 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.261 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.4 129.15 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 175.01 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -62.94 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.389 1.056 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.55 45.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 7' ' ' SER . 53.6 mt-10 -136.98 110.98 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -31.73 145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 2.9 t -121.68 0.28 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 117.61 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.5 87.4 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -75.07 130.03 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.62 -4.37 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.21 155.7 67.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.394 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 169.45 22.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 5.6 t -91.37 118.3 30.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -32.05 12.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.9 m-20 -91.01 120.14 68.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 3.43 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -89.79 129.32 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' TYR . 14.1 p -112.35 129.16 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.06 81.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 t80 -96.12 144.69 26.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -131.43 122.1 25.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.369 1.043 . . . . 0.0 108.253 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' O ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.86 -51.06 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.16 -157.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.42 -61.42 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -146.97 76.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.382 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -78.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 15.7 m-85 -89.59 103.6 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 5.6 t -146.31 124.93 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.229 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.87 -167.51 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 4.3 m -94.22 97.48 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 108.366 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.452 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.407 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -134.53 144.28 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.378 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -84.22 174.23 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -60.53 -53.11 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -84.91 45.69 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.375 1.047 . . . . 0.0 109.624 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 7' ' ' SER . 30.0 mt-10 -135.57 110.19 8.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.58 145.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.06 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.5 t -126.99 4.11 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.344 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.2 114.46 3.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.22 33.44 87.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -78.33 131.54 37.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -12.0 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.74 155.55 40.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.207 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.91 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.69 119.29 36.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -33.59 63.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 108.362 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.03 120.71 82.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.23 8.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.61 30.65 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -111.11 149.4 30.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -138.46 130.36 28.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 110.469 179.953 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 t -62.07 80.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -98.15 142.76 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.627 1.205 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -128.35 125.73 39.28 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.96 -45.85 84.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.7 -158.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.79 -57.76 3.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -147.4 76.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.54 -86.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.9 m-85 -84.25 109.91 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -146.37 124.61 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.09 -167.54 2.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 9.8 m -92.9 95.24 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.448 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 17.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.416 HG22 ' NE2' ' A' ' 11' ' ' GLN . 1.4 t -135.33 150.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.448 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.4 168.2 14.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.471 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -63.66 -48.3 77.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -87.68 43.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.565 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.0 mt-10 -138.5 106.49 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -36.71 146.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.92 -4.66 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 108.25 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -48.64 113.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.11 68.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 5.6 tp60 -78.05 151.44 33.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.3 tt0 -127.48 -8.54 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.79 160.02 29.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.05 160.9 39.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 126.78 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -26.14 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . 18.8 m-20 -67.26 145.32 98.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -83.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.375 1.724 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.35 52.61 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . -86.02 158.4 19.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.16 103.15 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.67 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 108.355 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -95.47 144.27 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -125.45 124.57 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -64.74 -59.32 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.81 -156.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -77.23 -63.32 1.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.25 76.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -40.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.05 108.59 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -148.11 114.84 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -144.83 173.45 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.09 132.27 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.12 167.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -85.3 167.47 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -66.47 -60.2 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.38 49.85 1.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 13.0 mt-10 -142.0 112.63 7.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -40.46 155.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.24 5.95 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 26.8 mt -43.12 96.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 74.83 44.17 25.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 8' ' ' CYS . 2.1 pt20 -86.81 140.98 29.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -96.52 -19.06 19.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.234 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -110.71 150.79 42.27 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -174.26 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.407 1.741 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . 86.4 m -82.51 130.93 35.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.131 . . . . 0.0 108.375 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -51.94 -39.99 60.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.58 136.06 27.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.13 12.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.3 7.18 20.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HB1' ' CB ' ' A' ' 15' ' ' CYS . . . -85.18 153.6 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -139.27 92.45 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.398 -179.918 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 33.0 t -57.65 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -126.46 158.67 35.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -113.66 129.19 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.303 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.366 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.603 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.3 t80 -88.5 -155.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -67.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -147.43 73.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -147.82 -83.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 35.6 m-85 -83.96 108.49 16.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -136.61 118.44 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -145.28 176.48 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 111.065 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 4' ' ' LEU . 38.9 m -75.15 101.76 4.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 6.6 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.445 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 1.1 t -105.91 159.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.8 mmp_? -79.57 170.77 16.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.2 tt -66.42 -60.21 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 48.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 20.9 mt-10 -136.87 107.08 6.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -38.08 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -123.62 1.07 8.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 108.224 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 63.7 mt -37.91 105.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.04 56.91 13.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' OE1' ' CB ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER -95.26 172.22 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -132.94 -2.63 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -128.47 156.47 77.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.595 1.184 . . . . 0.0 109.371 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.03 -175.97 2.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 17' ' ' ASP . 84.6 m -85.33 121.12 27.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 108.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.34 -28.6 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -91.24 135.52 28.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.95 6.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.35 29.76 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.4 146.19 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.19 109.35 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.954 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.81 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.301 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -101.15 145.24 29.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.56 123.56 39.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.1 tpp180 -63.36 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.53 -151.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.95 -62.55 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -148.62 30.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.55 -39.71 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.85 112.38 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.2 t -149.04 113.59 5.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 108.372 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.86 174.91 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LEU . 31.7 m -76.02 129.91 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.49 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.9 t -135.95 141.39 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -79.98 177.76 8.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 1.2 tm? -64.84 -55.62 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -89.43 47.52 1.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 21.9 mt-10 -130.56 106.58 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -40.16 152.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -120.64 0.51 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -38.7 118.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 36.54 65.57 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.99 176.37 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.786 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.75 -2.8 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.468 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -126.28 151.66 72.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -175.43 2.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.99 120.26 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.64 1.212 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -50.27 -31.12 13.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.371 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . 4.3 m-20 -81.47 127.06 74.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.81 5.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.417 1.746 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.17 31.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . . . -108.05 111.84 24.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 8.5 p -103.75 119.59 39.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.82 81.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.8 t80 -93.92 141.96 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -123.91 121.03 34.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.509 ' O ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.44 -52.37 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -159.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.79 -61.39 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.185 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -146.22 76.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.49 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.9 m-85 -95.26 108.18 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.7 t -147.36 116.35 6.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 108.257 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.65 -176.28 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.929 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' LEU . 19.7 m -79.34 131.39 36.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.1 137.26 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 10.2 mmm-85 -83.34 173.57 11.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -57.68 -58.55 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.72 47.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 0.0 109.543 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.2 mt-10 -136.69 105.63 5.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -39.11 153.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.34 6.88 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 4.0 mt -42.55 119.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.209 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.39 43.76 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 3.4 pt20 -76.1 135.98 39.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 0.79 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -95.59 -11.53 27.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.29 152.33 45.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.65 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -98.62 121.46 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.221 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -51.95 -27.18 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.25 116.59 66.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.36 34.2 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.03 156.33 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -132.43 103.79 6.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.24 81.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 t80 -94.09 145.11 24.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -123.44 121.26 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.62 -66.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -156.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.09 -62.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -145.87 77.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.232 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.61 -77.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 m-30 -86.92 105.04 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.6 t -146.49 116.01 7.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -146.35 178.03 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 1.3 m -82.25 121.12 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 108.337 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.439 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.13 126.68 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 109.4 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 16.8 mmm-85 -79.36 175.53 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -59.1 -52.86 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 28.4 t-80 -86.11 45.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.637 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 7' ' ' SER . 33.9 mt-10 -135.86 111.39 9.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -32.73 146.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.904 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.9 t -122.07 4.97 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.32 136.42 44.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.4 28.66 14.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.579 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -77.16 158.86 30.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.579 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 mt-30 -127.9 -20.15 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 156.15 35.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.1 35.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 8.7 t -85.08 116.67 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.336 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -29.99 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.98 119.7 65.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -26.92 10.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.79 9.1 15.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -96.7 129.75 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' TYR . 22.8 p -113.27 130.73 56.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.458 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.42 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.7 t80 -99.93 144.74 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.11 124.62 26.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.387 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -63.41 -61.66 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.179 -179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.37 -156.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -77.02 -64.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.65 76.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.96 -39.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.3 m-85 -130.88 107.22 8.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.0 t -147.39 121.07 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.89 -166.13 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 7.6 m -93.19 95.75 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.6 p . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.98 166.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -86.14 168.36 14.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -65.16 -56.37 13.25 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -84.75 46.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 109.683 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 18.4 mt-10 -139.97 111.51 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.01 151.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -134.86 10.24 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 126.66 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.38 40.32 53.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 6.9 tt0 -96.75 154.95 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -27.93 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -96.9 145.64 29.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.463 1.77 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.46 131.15 41.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 29.4 m -54.84 -40.79 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 108.262 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -90.82 114.95 63.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -25.22 12.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.89 13.06 7.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.373 1.045 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -85.16 178.15 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -137.79 86.81 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.5 t -65.76 75.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -117.39 156.6 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -114.31 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.84 -46.33 82.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.596 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -88.29 -155.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.195 . . . . 0.0 110.987 -179.942 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -77.77 -67.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -146.32 75.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.11 -83.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-30 -84.67 100.93 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 t -131.4 115.29 16.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -144.49 177.32 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -82.76 123.53 29.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 tpt85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.5 t -134.23 138.23 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.44 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.1 mmp_? -81.85 173.21 12.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.925 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -64.48 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -86.6 45.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -138.07 105.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.199 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.98 149.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.0 -1.08 10.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 108.355 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.1 pp -55.85 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.28 20.23 33.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.83 158.3 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.357 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.584 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.89 -20.32 3.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.38 155.38 36.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.44 31.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.32 124.59 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 108.226 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -28.96 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.928 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 16.8 m-20 -85.22 120.24 73.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 -31.38 6.49 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.54 35.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.37 147.47 36.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -132.79 110.22 10.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -57.72 85.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 108.247 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.9 t80 -93.55 140.87 29.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -124.37 126.62 46.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -74.74 -63.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.98 -155.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -63.24 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -145.81 77.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.56 -71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.11 101.69 13.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' SER . 6.3 t -145.93 114.18 6.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 108.292 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 178.11 8.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.3 m -81.14 116.2 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.32 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 179.965 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 16.8 t -105.09 134.47 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.504 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -85.71 158.58 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -46.78 -39.71 12.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.68 46.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 58.8 mt-10 -144.51 108.27 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HB3' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.61 155.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.936 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.29 -4.05 11.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' CYS . 19.7 mt -39.27 112.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.07 52.34 10.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.409 1.068 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -89.88 171.35 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -133.74 -2.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.25 147.15 37.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.05 27.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -72.01 114.39 10.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.397 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.89 -28.84 58.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.639 1.212 . . . . 0.0 108.334 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' CB ' ' CB ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -66.61 158.71 78.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 -84.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.34 48.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.538 ' CB ' ' CB ' ' A' ' 17' ' ' ASP . . . -96.4 153.73 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -143.77 126.34 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 35.0 t -59.03 88.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.9 t80 -93.76 137.58 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -127.04 122.55 34.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 108.325 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.67 -28.41 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.13 -166.28 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.39 -50.42 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -147.64 75.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.66 -52.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 10.0 m-85 -133.53 114.27 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.1 t -148.81 114.54 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -147.05 178.47 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' LEU . 35.2 m -75.64 137.11 40.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.449 1.093 . . . . 0.0 108.366 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.488 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 7.2 t -135.34 116.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.519 HH21 ' N ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -80.3 166.9 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -53.33 -38.23 63.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.38 45.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.612 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.0 mt-10 -139.97 110.9 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -38.45 157.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.379 1.049 . . . . 0.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -128.13 5.35 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' GLY . 50.0 mt -40.45 114.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.22 51.37 0.92 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.488 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 2.6 pt20 -74.87 164.71 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.66 -2.97 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -111.04 156.63 40.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 168.48 24.66 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.571 1.827 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' CG1' ' A' ' 2' ' ' VAL . 1.4 m -98.7 126.13 44.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.59 -41.17 69.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 108.335 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' N ' HH21 ' A' ' 3' ' ' ARG . 12.9 m-20 -79.77 124.47 83.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.72 7.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.82 30.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.86 123.43 48.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' TYR . 17.4 p -111.98 126.65 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.31 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.6 t80 -109.37 146.99 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -127.07 -149.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.3 tpp180 -163.62 -64.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -155.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.7 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -148.13 77.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 -75.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.5 m-85 -84.06 93.31 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -148.32 112.1 5.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.79 -163.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -98.25 119.47 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.551 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -99.36 149.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -85.32 167.17 15.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.373 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.08 -53.16 61.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.6 1.187 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -84.28 46.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.15 103.75 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -41.31 148.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.948 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.83 3.24 12.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.357 1.035 . . . . 0.0 108.302 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.44 101.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.4 28.74 26.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.551 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.08 170.23 9.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.606 0.827 . . . . 0.0 110.27 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -2.63 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -113.06 148.42 39.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.401 179.944 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.61 113.88 20.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.234 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -49.62 -26.35 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 7.9 m-20 -92.83 140.33 23.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -33.97 4.27 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.71 38.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . . . -123.71 136.51 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -129.34 115.39 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.455 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.95 88.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 t80 -101.08 141.4 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -122.34 -152.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.353 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.1 tpp180 -162.51 -63.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.51 -154.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -64.31 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.22 78.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.07 -76.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.7 m-85 -84.04 95.86 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.4 t -149.62 111.78 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.45 177.83 8.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 10.1 m -83.35 106.26 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HA ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 3' ' ' ARG . 1.4 t -134.29 147.83 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 5.9 mmm-85 -80.04 168.12 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 8.8 tt -60.93 -53.35 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 26.1 t-80 -84.4 46.37 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.537 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -141.56 107.96 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.46 156.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -130.01 8.39 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 108.36 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 10.3 mt -38.71 115.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.63 64.42 1.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.66 179.34 5.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 0.811 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -132.62 -3.0 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.14 152.7 76.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.66 121.32 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -26.77 8.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 37.6 m-20 -94.55 115.05 64.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.21 9.78 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -100.96 159.54 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.12 109.01 7.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -65.92 91.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -124.67 155.89 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -108.82 127.5 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -70.06 -47.57 61.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -90.35 -156.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -67.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.1 73.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -148.56 -85.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -84.42 121.79 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 t -144.74 114.7 7.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.616 1.197 . . . . 0.0 108.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.2 -179.66 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -86.63 118.85 26.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 11.9 tpt85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.56 136.57 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.65 170.93 14.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.231 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -65.28 -49.59 68.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.09 45.62 1.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' SER . 52.0 mt-10 -138.17 106.08 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.61 148.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.889 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.61 2.82 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -58.17 115.72 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.14 30.29 77.03 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.493 1.12 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 2.9 pt20 -74.93 173.55 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.759 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.86 -2.92 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.94 152.72 70.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 116.2 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.366 1.042 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.4 -31.72 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.331 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -83.53 114.66 54.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.68 9.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.432 1.754 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.28 29.74 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.16 156.78 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -133.51 98.06 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.15 84.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.8 t80 -98.35 147.85 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -120.04 126.55 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 108.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -69.06 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -154.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.213 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -76.82 -63.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -146.96 78.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 9' ' ' LEU . . . -155.79 -72.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -92.84 106.69 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.96 114.69 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.23 173.34 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -76.97 126.3 30.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.46 HG12 ' CB ' ' A' ' 6' ' ' GLU . 2.0 t -143.9 148.14 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.9 mmp_? -85.51 169.23 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.482 HD13 ' CB ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -57.64 -53.64 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 45.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.533 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.3 mt-10 -138.32 111.18 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.0 141.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.1 t -126.16 5.13 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -56.84 131.0 48.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.07 56.45 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.26 144.07 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.39 -5.34 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.89 152.59 70.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -174.09 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' HG11 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -103.63 124.16 48.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.269 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.36 -27.15 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' CB ' HD13 ' A' ' 4' ' ' LEU . 20.6 m-20 -91.2 113.25 57.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.81 12.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 23.04 2.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . . . -109.8 163.78 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -136.99 119.17 15.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -71.77 84.17 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -110.97 152.01 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -123.71 125.77 45.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.54 -65.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -156.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.19 -63.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -146.56 76.51 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.59 -79.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -84.33 107.01 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.1 t -146.03 120.45 9.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.09 -165.11 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' LEU . 1.2 m -101.73 105.07 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 108.354 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' PRO . 1.4 t -133.81 134.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.15 38.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.206 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -50.93 -38.13 48.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.35 44.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' SER . 88.4 mt-10 -145.46 110.12 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -37.16 154.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -123.37 5.71 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 108.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 9.0 mt -41.91 115.83 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.18 50.11 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.625 1.203 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.3 pm0 -81.36 143.53 32.12 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 0.798 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.56 -13.35 23.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.74 151.7 42.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.94 170.5 20.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.8 127.63 35.01 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.1 m -47.2 -50.1 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -83.31 118.46 71.64 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -25.68 11.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.13 28.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.75 170.2 9.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.44 99.6 3.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.0 t -60.58 84.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 108.267 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.1 t80 -97.32 146.66 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.365 1.041 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.9 m -119.15 125.9 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.354 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.61 -66.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -155.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.2 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.57 77.41 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.42 -80.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.79 108.89 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.8 t -146.84 114.57 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 174.93 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -76.82 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.49 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.517 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -107.18 142.71 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.12 160.45 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.1 tp -49.61 -48.74 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.96 45.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 15.0 mt-10 -145.97 112.17 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.97 154.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 18.7 t -126.46 9.04 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.637 1.21 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' GLY . 5.6 mt -39.91 117.43 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.72 62.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.62 139.46 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.72 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -95.75 -5.35 42.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -112.05 152.72 44.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -177.56 3.56 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.56 1.821 . . . . 0.0 110.992 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.31 123.9 31.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 108.222 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.68 -25.5 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 108.377 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -104.92 137.63 19.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.29 11.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.454 1.765 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.03 28.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -132.93 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -142.11 145.42 34.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.23 82.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.268 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.6 t80 -110.68 144.46 39.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -128.24 126.75 41.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.32 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -63.98 -60.57 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.31 -157.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -147.35 76.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.89 -39.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -130.75 109.5 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -147.44 119.32 8.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.41 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.2 -163.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 4.0 m -92.19 79.9 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -135.27 132.55 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 163.66 22.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.17 47.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 42.0 mt-10 -139.03 113.6 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -35.14 150.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.2 t -124.4 2.07 8.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -48.26 124.61 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.27 63.02 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.618 1.199 . . . . 0.0 111.048 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.7 136.12 36.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 0.795 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -95.51 -15.9 22.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -106.6 155.89 38.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 178.68 6.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.1 m -101.3 124.86 47.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -28.07 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.66 116.89 67.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.65 28.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -114.44 159.72 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.62 132.78 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.01 83.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 t80 -103.47 145.27 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.83 125.96 42.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.19 . . . . 0.0 108.244 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -65.72 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.31 -156.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -77.26 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.04 76.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.43 -79.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -85.66 110.31 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.5 t -146.46 119.9 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -145.32 -163.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.03 100.16 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.26 136.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -73.88 165.46 25.09 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -56.92 -53.25 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.16 45.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.4 mt-10 -139.39 109.31 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.33 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.48 1.3 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -43.19 115.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.42 55.53 3.09 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -83.01 151.51 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.381 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.32 -31.51 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -107.65 155.88 38.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 131.64 36.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.651 1.219 . . . . 0.0 108.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 85.7 m -51.17 -44.9 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' CB ' HD11 ' A' ' 4' ' ' LEU . 6.6 m-20 -88.42 116.45 66.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.45 12.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.77 25.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.34 165.17 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -131.79 99.03 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.96 85.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 108.235 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -100.83 148.48 24.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -119.36 126.61 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -67.61 -66.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.98 -156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -76.84 -62.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -146.39 77.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.6 -78.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -86.72 108.69 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.71 114.6 6.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.337 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.33 174.94 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -78.7 128.68 33.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -136.0 143.77 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 2.6 mmp_? -86.66 169.96 12.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -56.35 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -84.99 47.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.583 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.8 mt-10 -135.26 111.33 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.09 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.21 2.88 8.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLY . 1.4 mt -44.82 124.7 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 33.36 62.62 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.15 137.72 33.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 0.753 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -15.22 23.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.96 151.95 42.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.378 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.424 1.75 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 3.5 t -98.38 125.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.245 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.55 -26.51 32.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.244 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' OD2' ' NH2' ' A' ' 3' ' ' ARG . 5.0 m-20 -89.27 128.83 49.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.61 8.02 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.55 28.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . . . -107.94 129.71 55.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.9 p -122.22 127.82 50.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.85 83.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.0 t80 -99.91 145.89 27.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -129.85 124.15 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -64.57 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -156.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.98 -62.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -146.39 76.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -79.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.2 m-85 -84.56 107.95 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.8 t -146.87 122.23 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.33 -164.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 3.3 m -93.41 106.99 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 37.2 t -105.03 132.06 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -79.2 160.94 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -48.67 -41.6 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.57 48.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.38 1.05 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.545 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 10.7 mt-10 -145.44 115.72 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.6 t -126.37 3.97 6.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.1 mt -47.77 106.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.01 45.08 95.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -74.92 130.78 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.244 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.94 -13.44 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.57 157.59 43.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 168.6 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.84 134.07 43.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 16.3 m -55.81 -39.63 71.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.38 142.74 26.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.67 10.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.99 27.79 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -116.59 140.7 49.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -140.37 137.9 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.81 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.172 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.5 t80 -107.47 143.72 35.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.98 126.76 43.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.17 . . . . 0.0 108.365 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -66.53 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.13 -156.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -63.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -146.32 77.02 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.51 -79.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -84.86 109.62 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.5 t -146.86 120.7 9.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.218 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.69 -164.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.628 1.205 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 22.9 m -86.95 100.44 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' NH1' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.425 ' N ' HG13 ' A' ' 13' ' ' VAL . 4.5 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.01 148.89 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.587 1.179 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.7 mmp_? -77.66 161.06 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 tt -60.53 -43.44 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.356 1.035 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -92.25 46.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.535 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 78.6 mt-10 -142.61 109.11 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.08 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.06 8.51 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 4.2 mt -45.07 107.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.404 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.52 46.02 94.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 3.0 pt20 -85.57 173.83 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -133.14 -2.96 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.28 150.82 45.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.25 4.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -82.65 113.34 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 108.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -36.47 68.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -60.81 164.65 7.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -83.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.32 46.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' CB ' ' CB ' ' A' ' 17' ' ' ASP . . . -98.1 145.05 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -142.91 126.67 17.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.459 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.38 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 108.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.3 t80 -94.2 142.61 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.367 1.042 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -122.22 124.39 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.53 -66.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.75 -156.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -77.19 -63.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.33 77.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.42 -72.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -92.32 107.37 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.08 115.57 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.61 176.02 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 m -72.01 126.0 28.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 108.334 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 tpt85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 -179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.478 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -137.12 143.31 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 168.83 19.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.413 1.071 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -64.86 -55.94 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.94 45.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.561 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 19.9 mt-10 -136.66 107.08 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.63 1.206 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -37.57 153.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.28 -0.54 11.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.597 1.186 . . . . 0.0 108.267 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' CYS . 11.7 mt -37.57 116.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.55 64.2 2.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.179 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.04 171.04 8.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -132.68 -2.92 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.29 154.37 81.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 179.94 5.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.78 124.94 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.28 -27.48 46.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.5 124.48 60.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.37 9.15 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.531 1.806 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.82 30.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 137.0 54.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -126.21 124.8 41.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.37 80.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' THR . 19.4 t80 -94.24 141.68 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -124.79 130.75 52.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.15 -36.94 77.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.04 -165.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -47.21 15.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -146.19 74.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -94.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.7 m-85 -84.6 117.35 23.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -148.63 113.31 5.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.6 m -88.25 118.23 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 108.351 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.441 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -135.09 132.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.317 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 174.28 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -62.04 -52.36 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -86.27 46.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.523 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -135.29 110.73 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.476 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -125.63 3.3 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 1.3 pp -64.11 107.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.53 62.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -76.35 130.97 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.251 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -16.98 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.36 155.48 41.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 175.41 11.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 5.3 t -94.59 122.53 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -36.23 66.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.14 121.21 78.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.18 4.5 30.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -92.61 146.44 23.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -134.83 127.71 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.92 82.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 108.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.5 t80 -103.55 143.03 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -131.13 124.0 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 108.23 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.2 tpp180 -65.31 -56.56 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -156.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.36 -65.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -146.74 76.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.03 -39.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 m-85 -131.31 103.27 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.8 t -147.73 119.26 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -146.84 -163.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 6.0 m -95.92 100.67 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' NH1' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -135.02 130.46 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -85.81 173.63 9.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.98 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -84.84 45.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.652 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 87.1 mt-10 -139.13 108.4 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -35.36 145.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -120.37 5.41 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 133.99 47.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.202 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.47 32.46 10.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -75.09 166.13 24.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -132.75 -2.77 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.76 155.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 4.5 t -90.18 117.08 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -29.93 20.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . 3.9 m-20 -88.11 116.45 66.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.372 1.045 . . . . 0.0 109.352 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.78 9.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.64 6.42 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.391 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 17' ' ' ASP . . . -85.86 165.35 16.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.18 112.03 5.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.467 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.95 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.4 t80 -111.36 147.03 36.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -126.6 128.3 46.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.572 1.17 . . . . 0.0 108.334 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -64.37 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -154.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.13 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -146.91 29.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.04 -84.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -84.48 114.9 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.93 118.13 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -147.66 -165.51 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.7 m -99.11 112.14 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.158 . . . . 0.0 108.237 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.451 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -105.58 137.6 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -86.49 157.64 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' CA ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -54.84 -41.86 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.98 44.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' SER . 36.3 mt-10 -145.72 111.89 5.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.647 1.217 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -37.23 154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -122.16 0.58 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 108.371 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 39.0 mt -37.14 111.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.64 49.18 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.6 pm0 -74.73 143.83 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -14.42 23.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 110.202 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.44 152.09 41.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.6 Cg_endo -74.88 168.76 24.1 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.58 115.32 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -26.5 12.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' OD2' ' CA ' ' A' ' 4' ' ' LEU . 54.9 m-20 -67.44 142.96 96.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -83.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.96 52.67 2.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 109.385 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . -79.94 162.14 25.11 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.5 96.31 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.86 86.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 25.6 t80 -96.94 145.69 25.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.1 m -120.93 125.11 46.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.7 tpp180 -65.61 -66.42 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -156.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -77.24 -62.83 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.12 77.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.39 -70.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.19 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -95.13 110.4 22.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.4 t -147.22 115.1 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.348 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -142.69 173.44 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.1 m -74.46 129.74 38.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.328 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 7.2 p . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.8 t -106.08 146.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 3' ' ' ARG . 22.1 mmm-85 -85.95 173.83 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.51 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.02 -47.58 76.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 45.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' SER . 20.1 mt-10 -146.38 108.37 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -39.41 153.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.89 3.04 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 108.316 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 3.3 mt -37.51 119.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.78 50.99 18.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 2.0 tt0 -94.23 130.1 40.6 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.433 0.725 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -24.11 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.608 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -94.88 156.55 37.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.52 136.56 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' VAL . 46.3 m -51.07 -39.25 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 108.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -97.7 117.89 64.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -24.02 13.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.1 23.77 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.17 165.26 11.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.76 104.87 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.437 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.26 84.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.248 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.0 t80 -98.73 147.78 24.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 111.014 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -119.21 127.16 53.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.93 -66.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -156.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -77.07 -62.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -146.25 77.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.55 -79.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.188 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -84.67 108.54 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.8 t -146.8 114.89 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.356 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.91 172.8 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.77 125.7 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.221 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' C ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -139.16 148.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -86.71 175.13 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -63.37 -55.85 21.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -85.58 45.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.526 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' SER . 48.3 mt-10 -134.03 107.76 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.26 143.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.5 t -123.72 8.93 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -68.59 128.97 38.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.87 44.48 81.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.08 169.22 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.737 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.9 -1.82 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.13 155.28 68.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.22 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.437 1.756 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 1.1 t -103.97 121.52 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 108.395 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -29.99 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' CB ' HD13 ' A' ' 4' ' ' LEU . 5.1 m-20 -82.59 127.96 68.4 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -29.44 8.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.69 32.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -115.56 134.36 55.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -124.8 116.2 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.452 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.61 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 108.333 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.4 t80 -109.53 147.47 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.98 133.46 50.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.327 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -65.6 -39.57 91.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.67 -165.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -78.93 -48.17 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.81 75.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.15 113.76 21.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 4.7 t -146.91 117.99 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 108.364 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -147.26 -164.82 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 6.1 m -97.44 107.01 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.483 HG11 ' CB ' ' A' ' 6' ' ' GLU . 2.5 t -136.72 139.09 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 165.84 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -53.7 -48.4 69.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -88.94 45.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.555 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' CB ' HG11 ' A' ' 2' ' ' VAL . 21.2 mt-10 -143.05 113.21 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.76 150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.106 . . . . 0.0 110.048 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 4.3 t -129.5 8.92 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 108.254 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 131.71 37.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.43 16.15 66.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.23 127.72 41.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 0.0 110.366 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -3.74 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -100.79 156.41 35.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.39 1.731 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.94 122.86 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 108.309 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -26.35 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 112.47 60.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.32 10.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.06 30.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.95 175.03 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.35 92.84 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 7.8 t -63.67 79.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 24' ' ' CYS . 15.8 t80 -130.43 158.26 40.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -114.29 135.36 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.401 1.063 . . . . 0.0 108.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -47.65 76.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.372 1.045 . . . . 0.0 110.301 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.589 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.8 t80 -87.93 -155.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.63 -67.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.94 75.31 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.12 -84.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 3.4 m-85 -84.28 97.8 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.7 t -126.96 117.55 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -146.15 -168.12 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' LEU . 1.2 m -95.93 112.29 24.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' C ' ' OG1' ' A' ' 21' ' ' THR . 5.2 tpt85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.507 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 53.7 t -133.67 118.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.406 HH21 ' N ' ' A' ' 17' ' ' ASP . 1.2 mmp_? -80.57 162.15 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 33' ' ' CYS . 2.0 tp -46.65 -35.88 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 45.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.495 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 21.3 mt-10 -145.38 109.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -46.69 152.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.0 t -115.44 -0.32 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -46.55 121.99 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.54 45.01 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' CD ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -74.71 176.16 7.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 0.797 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -132.7 -2.61 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.97 152.92 67.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.15 2.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 m -92.74 115.54 28.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -52.56 13.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' HH21 ' A' ' 3' ' ' ARG . 0.7 OUTLIER -73.81 134.11 78.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.59 5.89 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.82 144.78 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -145.41 156.17 43.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 t -60.42 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.8 t80 -102.34 150.51 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 45.7 m -130.17 133.83 46.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 108.328 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -75.85 -65.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.86 -155.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -77.07 -63.46 1.36 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.26 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -70.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -86.83 115.85 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' SER . 67.9 m -146.43 114.11 6.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.75 -166.05 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 2' ' ' VAL . 13.8 m -85.47 81.99 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.319 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.471 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG2' ' OE1' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -106.2 146.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.42 171.98 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -63.91 -53.36 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.75 46.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.64 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -139.44 108.11 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -39.11 155.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -122.35 1.12 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 108.343 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 mt -36.93 127.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.37 50.83 4.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.508 ' OE1' ' CG2' ' A' ' 2' ' ' VAL . 9.0 tt0 -89.93 158.44 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.757 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 36.9 tt0 -133.09 -4.59 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -112.11 156.59 41.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.4 1.737 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.3 133.09 36.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 55.0 m -51.54 -41.64 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.12 127.61 54.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.23 10.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.96 29.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -115.08 120.9 41.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -108.98 122.19 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 40.0 t -60.04 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.6 t80 -93.83 141.59 28.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -120.53 124.99 46.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 108.349 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.03 -65.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -155.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -62.24 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.367 1.042 . . . . 0.0 111.012 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.33 77.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -80.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.58 108.46 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -146.67 116.65 7.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.635 1.21 . . . . 0.0 108.307 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.11 -176.81 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.8 m -83.55 115.75 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' PRO . 1.4 t -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.403 1.064 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CZ ' ' OD2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -85.35 162.22 19.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 7.4 tt -55.86 -52.37 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -84.85 46.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.5 mt-10 -142.03 108.98 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.76 155.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.95 6.71 7.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -43.72 116.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.58 42.54 4.67 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 2.9 pt20 -76.67 144.58 39.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -16.27 21.3 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.16 146.08 35.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.777 . . . . 0.0 111.018 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 m -90.53 118.2 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.348 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -31.38 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 3' ' ' ARG . 17.4 m-20 -82.46 117.99 70.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.92 10.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.376 1.724 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.35 25.07 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 17' ' ' ASP . . . -116.18 134.0 55.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -113.2 114.03 26.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.84 89.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -126.69 158.85 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -112.31 128.18 56.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -46.42 80.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.588 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -89.67 -154.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -68.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -147.7 72.19 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.04 -78.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 4.5 m-30 -86.72 107.72 18.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.063 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 7' ' ' SER . 82.5 m -126.13 112.23 15.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -145.73 -175.6 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 111.077 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -92.51 119.61 32.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 13.0 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG2' ' CD ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -133.92 134.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 1.9 mmp_? -79.22 173.31 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -59.28 -58.6 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -84.04 47.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.56 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 27.4 mt-10 -134.22 106.73 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.66 152.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.86 -4.83 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.85 120.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.28 63.8 2.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.497 ' CD ' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -95.3 165.34 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.27 -3.19 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -129.49 157.08 77.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' SG ' HG13 ' A' ' 2' ' ' VAL . 7.5 t -90.22 121.56 32.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 108.238 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.32 -26.48 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 12.4 m-20 -86.99 122.28 71.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -32.69 5.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.4 38.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.14 153.73 32.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.81 118.36 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.6 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.345 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.9 t80 -94.54 146.44 24.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 37.8 m -126.04 129.78 49.84 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -76.66 -64.71 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -157.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.6 -63.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -145.91 77.02 1.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.53 -71.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.1 m-85 -87.4 115.68 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 44.5 m -145.3 112.05 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.65 -179.13 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 8.3 m -78.61 113.87 17.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.251 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.3 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.3 t -106.21 139.37 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -74.4 171.94 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -65.22 -47.23 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -86.85 44.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.556 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -141.49 106.89 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -40.75 149.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.55 3.75 10.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 108.202 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.28 115.39 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.46 21.4 79.58 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 2.5 pt20 -78.3 165.16 24.19 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.458 0.74 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.89 -3.9 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.21 155.33 48.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.91 167.76 26.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.0 133.15 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 57.1 m -53.67 -41.63 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 108.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.09 119.14 71.52 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.72 11.56 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' CB ' HD11 ' A' ' 4' ' ' LEU . . . -110.63 158.08 18.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -134.64 115.21 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 85.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.341 1.026 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.0 t80 -93.63 143.42 26.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -125.82 123.34 38.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.319 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.55 -60.78 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -156.19 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.01 -64.48 1.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.23 77.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.17 -40.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -131.53 111.03 11.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -147.83 113.15 5.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.33 171.83 14.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.97 125.28 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -88.52 132.33 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.383 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 9.0 mmm-85 -83.54 164.06 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 110.339 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -51.82 -41.36 61.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 47.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.644 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 20.9 mt-10 -140.28 108.62 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -43.73 154.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.9 -3.42 11.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.283 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 31.0 mt -40.0 111.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.35 43.8 14.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.394 1.059 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -74.71 174.16 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 110.304 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.48 -1.58 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.208 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -123.1 148.94 55.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 172.54 16.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 m -74.77 114.58 13.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.607 1.192 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.17 -28.02 1.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.42 132.8 23.55 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.08 7.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.9 25.95 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.74 159.44 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.68 90.42 2.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -47.12 90.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.264 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.6 t80 -104.48 145.45 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -123.2 128.17 49.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 108.216 -179.9 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.16 -166.67 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 -47.1 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.9 73.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.21 -95.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m-85 -84.48 114.66 22.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.7 t -148.0 114.81 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.415 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -146.85 171.26 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.971 -179.904 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' LEU . 44.5 m -66.02 108.46 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.498 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -134.91 127.84 49.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.5 mmp_? -79.62 174.87 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -61.79 -49.31 76.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 16.5 p-80 -86.8 45.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.53 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' SER . 47.3 mt-10 -138.44 110.58 7.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.3 147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.67 4.17 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 136.12 50.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.49 45.71 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.498 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -96.05 167.36 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.435 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.46 -2.87 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.91 153.38 47.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 5.6 t -105.36 116.72 32.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -30.97 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 39.6 m-20 -87.76 122.21 70.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -27.43 10.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.53 30.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -116.73 128.13 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.1 p -115.76 129.91 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.87 82.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.6 t80 -99.95 146.89 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -131.62 122.48 26.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.46 -50.22 70.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -160.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.52 75.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.39 -83.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.328 1.018 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 77.6 m-85 -84.5 106.85 16.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -146.27 121.91 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.424 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -146.69 -165.18 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 2.1 m -93.13 112.14 24.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.09 142.08 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.91 164.2 26.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 3.1 tt -60.34 -54.03 50.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.38 46.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.669 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' SER . 46.0 mt-10 -139.32 108.43 6.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.4 153.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.65 -0.46 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -39.12 110.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.12 61.75 5.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.18 141.95 28.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -95.6 -18.81 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -114.39 152.57 46.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -94.64 124.28 38.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 108.222 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -33.69 62.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.44 123.66 78.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.32 7.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.02 33.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.17 134.86 54.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -120.99 119.36 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 110.346 -179.884 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 48.6 t -59.31 83.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.352 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 t80 -94.23 141.37 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.22 123.46 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 108.3 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.58 -43.05 95.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.54 -164.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -52.01 9.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -148.48 75.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.84 -48.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.2 m-85 -132.86 114.7 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -149.6 112.45 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.78 -175.58 4.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 111.097 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.451 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.4 m -89.16 117.46 28.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 8.6 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -133.22 145.2 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.38 165.88 24.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.219 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -63.22 -54.2 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -84.74 46.04 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' SER . 25.0 mt-10 -138.96 108.3 6.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.58 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.953 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -127.13 6.22 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 13.4 mt -38.94 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 63.77 51.08 56.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.2 pt20 -89.11 132.54 34.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -95.75 -10.95 27.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.9 156.17 43.05 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.619 1.852 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.32 131.58 41.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 73.0 m -51.06 -43.84 61.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.9 122.16 72.89 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.335 1.022 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.04 11.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.21 29.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.91 146.69 30.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -122.64 101.83 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -63.74 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.1 t80 -100.21 150.89 22.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -120.69 124.64 45.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -65.85 -65.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.45 -155.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.94 -63.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.06 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -146.45 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.56 -71.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -95.1 107.81 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.97 113.8 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -146.54 174.16 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.45 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.3 m -78.9 117.87 20.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 41.2 t -134.08 120.04 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.61 162.85 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.38 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD23 ' CZ ' ' A' ' 34' ' ' ARG . 7.4 tp -48.55 -36.86 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.57 46.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 109.539 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 30.5 mt-10 -143.75 109.92 5.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.94 157.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.67 -3.09 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 27.6 mt -39.58 113.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.79 44.32 8.56 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.397 1.06 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.522 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -76.78 172.23 13.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 0.798 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -133.76 -2.72 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.54 153.36 50.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.04 116.49 17.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 108.244 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' CB ' ' HD3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -55.71 -42.28 75.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.349 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -56.36 160.01 5.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.93 45.62 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . -80.56 159.72 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.83 104.49 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.71 88.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.267 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.1 t80 -99.19 145.29 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.54 127.64 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.918 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.5 -40.98 96.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -166.08 1.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -79.73 -48.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -145.92 74.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.48 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.1 m-85 -84.68 113.1 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.25 115.09 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.254 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.33 172.93 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 2' ' ' VAL . 57.0 m -70.29 116.61 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.261 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.4 129.15 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 175.01 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -62.94 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.389 1.056 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.55 45.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 7' ' ' SER . 53.6 mt-10 -136.98 110.98 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -31.73 145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 2.9 t -121.68 0.28 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 117.61 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.5 87.4 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -75.07 130.03 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.62 -4.37 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.21 155.7 67.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.394 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 169.45 22.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 5.6 t -91.37 118.3 30.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -32.05 12.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.9 m-20 -91.01 120.14 68.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 3.43 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -89.79 129.32 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' TYR . 14.1 p -112.35 129.16 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.06 81.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 t80 -96.12 144.69 26.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -131.43 122.1 25.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.369 1.043 . . . . 0.0 108.253 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' O ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.86 -51.06 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.16 -157.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.42 -61.42 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -146.97 76.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.382 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -78.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 15.7 m-85 -89.59 103.6 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 5.6 t -146.31 124.93 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.229 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.87 -167.51 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 4.3 m -94.22 97.48 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 108.366 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.452 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -134.53 144.28 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.378 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -84.22 174.23 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -60.53 -53.11 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -84.91 45.69 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.375 1.047 . . . . 0.0 109.624 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 7' ' ' SER . 30.0 mt-10 -135.57 110.19 8.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.58 145.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.06 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.5 t -126.99 4.11 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.344 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.2 114.46 3.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.22 33.44 87.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -78.33 131.54 37.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -12.0 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.74 155.55 40.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.207 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.91 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.69 119.29 36.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -33.59 63.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 108.362 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.03 120.71 82.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.23 8.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.61 30.65 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -111.11 149.4 30.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -138.46 130.36 28.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 110.469 179.953 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 t -62.07 80.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -98.15 142.76 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.627 1.205 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -128.35 125.73 39.28 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.96 -45.85 84.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.7 -158.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.79 -57.76 3.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -147.4 76.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.54 -86.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.9 m-85 -84.25 109.91 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -146.37 124.61 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.09 -167.54 2.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 9.8 m -92.9 95.24 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.448 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 17.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG22 ' NE2' ' A' ' 11' ' ' GLN . 1.4 t -135.33 150.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.448 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.4 168.2 14.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -63.66 -48.3 77.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -87.68 43.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.565 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.0 mt-10 -138.5 106.49 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -36.71 146.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.92 -4.66 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 108.25 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -48.64 113.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.11 68.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 5.6 tp60 -78.05 151.44 33.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.3 tt0 -127.48 -8.54 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.79 160.02 29.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.05 160.9 39.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 126.78 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -26.14 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . 18.8 m-20 -67.26 145.32 98.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -83.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.375 1.724 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.35 52.61 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . -86.02 158.4 19.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.16 103.15 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.67 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 108.355 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -95.47 144.27 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -125.45 124.57 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -64.74 -59.32 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.81 -156.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -77.23 -63.32 1.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.25 76.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -40.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.05 108.59 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -148.11 114.84 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -144.83 173.45 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.09 132.27 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.12 167.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -85.3 167.47 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -66.47 -60.2 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.38 49.85 1.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 13.0 mt-10 -142.0 112.63 7.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -40.46 155.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.24 5.95 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 26.8 mt -43.12 96.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 74.83 44.17 25.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 8' ' ' CYS . 2.1 pt20 -86.81 140.98 29.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -96.52 -19.06 19.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.234 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -110.71 150.79 42.27 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -174.26 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.407 1.741 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . 86.4 m -82.51 130.93 35.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.131 . . . . 0.0 108.375 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -51.94 -39.99 60.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.58 136.06 27.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.13 12.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.3 7.18 20.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HB1' ' CB ' ' A' ' 15' ' ' CYS . . . -85.18 153.6 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -139.27 92.45 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.398 -179.918 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 33.0 t -57.65 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -126.46 158.67 35.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -113.66 129.19 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.303 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.366 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.603 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.3 t80 -88.5 -155.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -67.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -147.43 73.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -147.82 -83.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 35.6 m-85 -83.96 108.49 16.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -136.61 118.44 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -145.28 176.48 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 111.065 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 4' ' ' LEU . 38.9 m -75.15 101.76 4.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 6.6 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.445 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 1.1 t -105.91 159.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.8 mmp_? -79.57 170.77 16.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.2 tt -66.42 -60.21 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 48.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 20.9 mt-10 -136.87 107.08 6.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -38.08 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -123.62 1.07 8.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 108.224 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 63.7 mt -37.91 105.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.04 56.91 13.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' OE1' ' CB ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER -95.26 172.22 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -132.94 -2.63 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -128.47 156.47 77.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.595 1.184 . . . . 0.0 109.371 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.03 -175.97 2.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 17' ' ' ASP . 84.6 m -85.33 121.12 27.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 108.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.34 -28.6 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -91.24 135.52 28.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.95 6.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.35 29.76 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.4 146.19 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.19 109.35 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.954 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.81 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.301 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -101.15 145.24 29.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.56 123.56 39.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.1 tpp180 -63.36 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.53 -151.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.95 -62.55 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -148.62 30.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.55 -39.71 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.85 112.38 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.2 t -149.04 113.59 5.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 108.372 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.86 174.91 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LEU . 31.7 m -76.02 129.91 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.49 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.9 t -135.95 141.39 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -79.98 177.76 8.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 1.2 tm? -64.84 -55.62 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -89.43 47.52 1.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 21.9 mt-10 -130.56 106.58 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -40.16 152.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -120.64 0.51 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -38.7 118.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 36.54 65.57 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.99 176.37 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.786 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.75 -2.8 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -126.28 151.66 72.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -175.43 2.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.99 120.26 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.64 1.212 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -50.27 -31.12 13.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.371 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . 4.3 m-20 -81.47 127.06 74.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.81 5.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.417 1.746 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.17 31.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . . . -108.05 111.84 24.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 8.5 p -103.75 119.59 39.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.82 81.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.8 t80 -93.92 141.96 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -123.91 121.03 34.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.509 ' O ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.44 -52.37 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -159.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.79 -61.39 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.185 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -146.22 76.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.49 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.9 m-85 -95.26 108.18 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.7 t -147.36 116.35 6.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 108.257 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.65 -176.28 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.929 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' LEU . 19.7 m -79.34 131.39 36.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.1 137.26 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 10.2 mmm-85 -83.34 173.57 11.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -57.68 -58.55 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.72 47.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 0.0 109.543 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.2 mt-10 -136.69 105.63 5.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -39.11 153.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.34 6.88 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 4.0 mt -42.55 119.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.209 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.39 43.76 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 3.4 pt20 -76.1 135.98 39.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 0.79 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -95.59 -11.53 27.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.29 152.33 45.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.65 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -98.62 121.46 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.221 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -51.95 -27.18 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.25 116.59 66.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.36 34.2 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.03 156.33 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -132.43 103.79 6.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.24 81.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 t80 -94.09 145.11 24.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -123.44 121.26 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.62 -66.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -156.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.09 -62.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -145.87 77.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.232 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.61 -77.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 m-30 -86.92 105.04 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.6 t -146.49 116.01 7.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -146.35 178.03 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 1.3 m -82.25 121.12 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 108.337 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.439 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.13 126.68 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 109.4 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 16.8 mmm-85 -79.36 175.53 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -59.1 -52.86 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 28.4 t-80 -86.11 45.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.637 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 7' ' ' SER . 33.9 mt-10 -135.86 111.39 9.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -32.73 146.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.904 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.9 t -122.07 4.97 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.32 136.42 44.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.4 28.66 14.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.579 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -77.16 158.86 30.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.579 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 mt-30 -127.9 -20.15 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 156.15 35.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.1 35.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 8.7 t -85.08 116.67 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.336 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -29.99 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.98 119.7 65.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -26.92 10.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.79 9.1 15.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . . . -96.7 129.75 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' TYR . 22.8 p -113.27 130.73 56.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.458 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.42 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.7 t80 -99.93 144.74 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.11 124.62 26.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.387 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -63.41 -61.66 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.179 -179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.37 -156.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -77.02 -64.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.65 76.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.96 -39.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.3 m-85 -130.88 107.22 8.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.0 t -147.39 121.07 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.89 -166.13 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 7.6 m -93.19 95.75 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.6 p . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.98 166.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -86.14 168.36 14.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -65.16 -56.37 13.25 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -84.75 46.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 109.683 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 18.4 mt-10 -139.97 111.51 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.01 151.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -134.86 10.24 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 126.66 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.38 40.32 53.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 6.9 tt0 -96.75 154.95 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -27.93 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -96.9 145.64 29.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.463 1.77 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.46 131.15 41.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 29.4 m -54.84 -40.79 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 108.262 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -90.82 114.95 63.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -25.22 12.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.89 13.06 7.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.373 1.045 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -85.16 178.15 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -137.79 86.81 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.5 t -65.76 75.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -117.39 156.6 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -114.31 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.84 -46.33 82.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.596 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -88.29 -155.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.195 . . . . 0.0 110.987 -179.942 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -77.77 -67.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -146.32 75.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.11 -83.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-30 -84.67 100.93 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 t -131.4 115.29 16.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -144.49 177.32 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -82.76 123.53 29.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 tpt85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.5 t -134.23 138.23 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.44 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.1 mmp_? -81.85 173.21 12.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.925 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -64.48 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -86.6 45.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -138.07 105.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.199 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.98 149.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.0 -1.08 10.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 108.355 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.1 pp -55.85 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.28 20.23 33.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.83 158.3 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.357 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.584 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.89 -20.32 3.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.38 155.38 36.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.44 31.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.32 124.59 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 108.226 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -28.96 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.928 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 16.8 m-20 -85.22 120.24 73.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 -31.38 6.49 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.54 35.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.37 147.47 36.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -132.79 110.22 10.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -57.72 85.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 108.247 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.9 t80 -93.55 140.87 29.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -124.37 126.62 46.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -74.74 -63.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.98 -155.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -63.24 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -145.81 77.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.56 -71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.11 101.69 13.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' SER . 6.3 t -145.93 114.18 6.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 108.292 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 178.11 8.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.3 m -81.14 116.2 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.32 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 179.965 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 16.8 t -105.09 134.47 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.504 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -85.71 158.58 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -46.78 -39.71 12.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.68 46.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 58.8 mt-10 -144.51 108.27 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HB3' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -44.61 155.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.936 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.29 -4.05 11.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' CYS . 19.7 mt -39.27 112.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.07 52.34 10.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.409 1.068 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -89.88 171.35 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -133.74 -2.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.25 147.15 37.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.05 27.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -72.01 114.39 10.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.397 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.89 -28.84 58.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.639 1.212 . . . . 0.0 108.334 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' CB ' ' CB ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -66.61 158.71 78.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 -84.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.34 48.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' CB ' ' CB ' ' A' ' 17' ' ' ASP . . . -96.4 153.73 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -143.77 126.34 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 35.0 t -59.03 88.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.9 t80 -93.76 137.58 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -127.04 122.55 34.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 108.325 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.67 -28.41 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.13 -166.28 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.39 -50.42 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -147.64 75.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.66 -52.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 10.0 m-85 -133.53 114.27 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.1 t -148.81 114.54 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -147.05 178.47 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' LEU . 35.2 m -75.64 137.11 40.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.449 1.093 . . . . 0.0 108.366 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.488 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 7.2 t -135.34 116.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.519 HH21 ' N ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -80.3 166.9 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -53.33 -38.23 63.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.38 45.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.612 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.0 mt-10 -139.97 110.9 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -38.45 157.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.379 1.049 . . . . 0.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -128.13 5.35 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' GLY . 50.0 mt -40.45 114.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.22 51.37 0.92 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.488 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 2.6 pt20 -74.87 164.71 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.66 -2.97 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -111.04 156.63 40.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 168.48 24.66 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.571 1.827 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' CG1' ' A' ' 2' ' ' VAL . 1.4 m -98.7 126.13 44.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.59 -41.17 69.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 108.335 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' N ' HH21 ' A' ' 3' ' ' ARG . 12.9 m-20 -79.77 124.47 83.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.72 7.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.82 30.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.86 123.43 48.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' TYR . 17.4 p -111.98 126.65 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.31 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.6 t80 -109.37 146.99 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -127.07 -149.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.3 tpp180 -163.62 -64.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -155.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.7 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -148.13 77.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 -75.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.5 m-85 -84.06 93.31 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -148.32 112.1 5.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.79 -163.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -98.25 119.47 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.551 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -99.36 149.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -85.32 167.17 15.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.373 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.08 -53.16 61.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.6 1.187 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -84.28 46.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.15 103.75 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -41.31 148.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.948 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.83 3.24 12.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.357 1.035 . . . . 0.0 108.302 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.44 101.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.4 28.74 26.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.551 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.08 170.23 9.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.606 0.827 . . . . 0.0 110.27 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -2.63 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -113.06 148.42 39.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.401 179.944 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.61 113.88 20.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.234 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -49.62 -26.35 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 7.9 m-20 -92.83 140.33 23.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -33.97 4.27 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.71 38.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . . . -123.71 136.51 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -129.34 115.39 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.455 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.95 88.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 t80 -101.08 141.4 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -122.34 -152.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.353 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.1 tpp180 -162.51 -63.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.51 -154.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -64.31 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.22 78.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.07 -76.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.7 m-85 -84.04 95.86 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.4 t -149.62 111.78 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.45 177.83 8.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 10.1 m -83.35 106.26 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HA ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.42 HG21 ' CD ' ' A' ' 11' ' ' GLN . 1.4 t -134.29 147.83 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 5.9 mmm-85 -80.04 168.12 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 8.8 tt -60.93 -53.35 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 26.1 t-80 -84.4 46.37 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.537 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -141.56 107.96 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.46 156.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -130.01 8.39 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 108.36 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 29' ' ' ALA . 10.3 mt -38.71 115.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.63 64.42 1.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.66 179.34 5.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 0.811 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -132.62 -3.0 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.6 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -127.14 152.7 76.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.66 121.32 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -26.77 8.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -94.55 115.05 64.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.21 9.78 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -100.96 159.54 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -137.12 109.01 7.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -65.92 91.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -124.67 155.89 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -108.82 127.5 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -70.06 -47.57 61.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -90.35 -156.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -67.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.1 73.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.988 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -148.56 -85.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -84.42 121.79 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 2.0 t -144.74 114.7 7.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.616 1.197 . . . . 0.0 108.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.2 -179.66 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.901 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -86.63 118.85 26.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 11.9 tpt85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.407 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -134.56 136.57 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.65 170.93 14.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.231 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.866 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -65.28 -49.59 68.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.09 45.62 1.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' SER . 52.0 mt-10 -138.17 106.08 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.61 148.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.889 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.61 2.82 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -58.17 115.72 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.14 30.29 77.03 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.493 1.12 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.93 173.55 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.759 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.86 -2.92 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.691 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.94 152.72 70.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.691 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.0 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.98 116.2 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.366 1.042 . . . . 0.0 108.275 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.4 -31.72 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.331 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 -83.53 114.66 54.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.68 9.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.432 1.754 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.28 29.74 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -101.16 156.78 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -133.51 98.06 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.15 84.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.8 t80 -98.35 147.85 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -120.04 126.55 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 108.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -69.06 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -154.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.213 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -76.82 -63.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -146.96 78.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -155.79 -72.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -92.84 106.69 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.96 114.69 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.23 173.34 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -76.97 126.3 30.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.866 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 28.6 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.486 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.0 t -143.9 148.14 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.9 mmp_? -85.51 169.23 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -57.64 -53.64 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 45.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.533 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.3 mt-10 -138.32 111.18 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.0 141.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 t -126.16 5.13 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -56.84 131.0 48.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.07 56.45 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.547 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.26 144.07 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.39 -5.34 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.89 152.59 70.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -74.98 -174.09 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -103.63 124.16 48.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.269 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.36 -27.15 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' CB ' HD12 ' A' ' 4' ' ' LEU . 20.6 m-20 -91.2 113.25 57.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.81 12.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 23.04 2.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -109.8 163.78 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -136.99 119.17 15.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -71.77 84.17 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -110.97 152.01 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -123.71 125.77 45.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.54 -65.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -156.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.19 -63.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -146.56 76.51 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.59 -79.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -84.33 107.01 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.1 t -146.03 120.45 9.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.09 -165.11 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -101.73 105.07 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 108.354 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.448 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 26.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -133.81 134.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.15 38.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.206 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -50.93 -38.13 48.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.35 44.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' SER . 88.4 mt-10 -145.46 110.12 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.16 154.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -123.37 5.71 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 108.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 29' ' ' ALA . 9.0 mt -41.91 115.83 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.18 50.11 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.625 1.203 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.3 pm0 -81.36 143.53 32.12 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 0.798 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.56 -13.35 23.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.74 151.7 42.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.94 170.5 20.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.8 127.63 35.01 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' VAL . 62.1 m -47.2 -50.1 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -83.31 118.46 71.64 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -25.68 11.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.13 28.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -96.75 170.2 9.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.44 99.6 3.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.0 t -60.58 84.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 108.267 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.1 t80 -97.32 146.66 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.365 1.041 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -119.15 125.9 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.354 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.61 -66.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -155.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.2 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.57 77.41 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.695 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -80.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.79 108.89 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.84 114.57 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 174.93 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -76.82 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.444 HH11 HD21 ' A' ' 4' ' ' LEU . 5.1 tpt85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.49 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 33' ' ' CYS . 2.5 t -107.18 142.71 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.12 160.45 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' A' ' 20' ' ' ALA . 1.1 tp -49.61 -48.74 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.96 45.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.508 ' CB ' HG13 ' A' ' 2' ' ' VAL . 15.0 mt-10 -145.97 112.17 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.97 154.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 18.7 t -126.46 9.04 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.637 1.21 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' GLY . 5.6 mt -39.91 117.43 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.72 62.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.62 139.46 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.72 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -95.75 -5.35 42.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.769 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -112.05 152.72 44.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.769 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.04 -177.56 3.56 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.56 1.821 . . . . 0.0 110.992 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.31 123.9 31.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 108.222 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.68 -25.5 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 108.377 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -104.92 137.63 19.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.29 11.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.454 1.765 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.03 28.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -132.93 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -142.11 145.42 34.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.23 82.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.268 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.6 t80 -110.68 144.46 39.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.24 126.75 41.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.32 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -63.98 -60.57 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.31 -157.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -147.35 76.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.89 -39.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 25.6 m-85 -130.75 109.5 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -147.44 119.32 8.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.41 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.2 -163.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.0 m -92.19 79.9 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.493 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.5 t -135.27 132.55 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 163.66 22.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.422 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.17 47.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 42.0 mt-10 -139.03 113.6 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -35.14 150.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.2 t -124.4 2.07 8.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -48.26 124.61 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.27 63.02 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.618 1.199 . . . . 0.0 111.048 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.507 HE22 HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -95.7 136.12 36.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 0.795 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -95.51 -15.9 22.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.648 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -106.6 155.89 38.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.08 178.68 6.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.1 m -101.3 124.86 47.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.388 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -28.07 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.66 116.89 67.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.65 28.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -114.44 159.72 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.62 132.78 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.01 83.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 t80 -103.47 145.27 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.83 125.96 42.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.19 . . . . 0.0 108.244 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -65.72 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.31 -156.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -77.26 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.04 76.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.43 -79.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.3 m-85 -85.66 110.31 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.46 119.9 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.407 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -145.32 -163.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.03 100.16 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 4.7 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.1 t -105.26 136.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -73.88 165.46 25.09 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.474 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -56.92 -53.25 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.16 45.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.4 mt-10 -139.39 109.31 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.33 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.48 1.3 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -43.19 115.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.42 55.53 3.09 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -83.01 151.51 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.381 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.32 -31.51 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -107.65 155.88 38.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.2 Cg_endo -75.06 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.92 131.64 36.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.651 1.219 . . . . 0.0 108.243 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 85.7 m -51.17 -44.9 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 4' ' ' LEU . 6.6 m-20 -88.42 116.45 66.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.45 12.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.77 25.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -98.34 165.17 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -131.79 99.03 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.96 85.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 108.235 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -100.83 148.48 24.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -119.36 126.61 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -67.61 -66.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.98 -156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -76.84 -62.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -146.39 77.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.6 -78.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -86.72 108.69 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -146.71 114.6 6.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.337 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.33 174.94 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -78.7 128.68 33.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -136.0 143.77 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 2.6 mmp_? -86.66 169.96 12.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.93 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -56.35 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -84.99 47.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.583 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.8 mt-10 -135.26 111.33 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.09 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -124.21 2.88 8.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLY . 1.4 mt -44.82 124.7 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 33.36 62.62 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.553 HE22 HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -95.15 137.72 33.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 0.753 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -15.22 23.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.692 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.96 151.95 42.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.378 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.424 1.75 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 3.5 t -98.38 125.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.245 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.55 -26.51 32.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.244 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' OD2' ' NH2' ' A' ' 3' ' ' ARG . 5.0 m-20 -89.27 128.83 49.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.61 8.02 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.55 28.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -107.94 129.71 55.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.9 p -122.22 127.82 50.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.85 83.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.0 t80 -99.91 145.89 27.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -129.85 124.15 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -64.57 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -156.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.98 -62.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -146.39 76.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -79.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.2 m-85 -84.56 107.95 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.87 122.23 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.33 -164.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.93 ' O ' HD13 ' A' ' 4' ' ' LEU . 3.3 m -93.41 106.99 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 6' ' ' GLU . 37.2 t -105.03 132.06 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -79.2 160.94 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.748 HD23 HH12 ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.67 -41.6 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.57 48.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.38 1.05 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.746 ' HB3' HG13 ' A' ' 2' ' ' VAL . 10.7 mt-10 -145.44 115.72 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -40.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.591 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 4.6 t -126.37 3.97 6.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD11 ' O ' ' A' ' 29' ' ' ALA . 63.1 mt -47.77 106.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.01 45.08 95.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.591 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 2.5 pt20 -74.92 130.78 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.94 -13.44 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.57 157.59 43.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.92 168.6 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 72.2 m -73.84 134.07 43.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.256 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 16.3 m -55.81 -39.63 71.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.38 142.74 26.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.67 10.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.99 27.79 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.59 140.7 49.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -140.37 137.9 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.81 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.172 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.5 t80 -107.47 143.72 35.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -126.98 126.76 43.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.17 . . . . 0.0 108.365 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -66.53 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.13 -156.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -63.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -146.32 77.02 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.677 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.51 -79.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.9 m-85 -84.86 109.62 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.86 120.7 9.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.218 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.69 -164.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.628 1.205 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 22.9 m -86.95 100.44 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.748 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.424 ' N ' HG11 ' A' ' 13' ' ' VAL . 4.5 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -136.01 148.89 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.587 1.179 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.7 mmp_? -77.66 161.06 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD12 ' OD2' ' A' ' 17' ' ' ASP . 2.0 tt -60.53 -43.44 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.356 1.035 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -92.25 46.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.535 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 78.6 mt-10 -142.61 109.11 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -42.08 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.06 8.51 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.2 mt -45.07 107.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.404 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.52 46.02 94.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 9.5 pt20 -85.57 173.83 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -133.14 -2.96 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.28 150.82 45.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 -178.25 4.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.2 m -82.65 113.34 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 108.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -36.47 68.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.788 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -60.81 164.65 7.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -83.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.32 46.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.788 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -98.1 145.05 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -142.91 126.67 17.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.459 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.38 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 108.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.3 t80 -94.2 142.61 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.367 1.042 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -122.22 124.39 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.53 -66.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.75 -156.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -77.19 -63.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.33 77.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -72.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -92.32 107.37 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -147.08 115.57 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.61 176.02 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 m -72.01 126.0 28.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 108.334 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' C ' ' HA ' ' A' ' 20' ' ' ALA . 38.9 tpt85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 29.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.12 143.31 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 168.83 19.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.413 1.071 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.86 -55.94 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.94 45.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.561 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 19.9 mt-10 -136.66 107.08 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.63 1.206 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -37.57 153.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.28 -0.54 11.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.597 1.186 . . . . 0.0 108.267 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 29' ' ' ALA . 11.7 mt -37.57 116.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.55 64.2 2.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.179 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.485 HE22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -95.04 171.04 8.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -132.68 -2.92 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.757 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.29 154.37 81.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 179.94 5.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.78 124.94 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.28 -27.48 46.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.5 124.48 60.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.37 9.15 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.531 1.806 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.82 30.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -119.52 137.0 54.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -126.21 124.8 41.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.37 80.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' THR . 19.4 t80 -94.24 141.68 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -124.79 130.75 52.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.15 -36.94 77.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.04 -165.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -47.21 15.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -146.19 74.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.739 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.57 -94.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.582 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.7 m-85 -84.6 117.35 23.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -148.63 113.31 5.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.791 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.6 m -88.25 118.23 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 108.351 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 132.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.317 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 174.28 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -62.04 -52.36 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -86.27 46.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.523 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -135.29 110.73 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.567 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.8 t -125.63 3.3 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 1.3 pp -64.11 107.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.53 62.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -76.35 130.97 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.251 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -16.98 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.36 155.48 41.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.99 175.41 11.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.3 t -94.59 122.53 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -36.23 66.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.14 121.21 78.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.18 4.5 30.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -92.61 146.44 23.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -134.83 127.71 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.92 82.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 108.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.5 t80 -103.55 143.03 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -131.13 124.0 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 108.23 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.2 tpp180 -65.31 -56.56 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -156.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.36 -65.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -146.74 76.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.03 -39.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 m-85 -131.31 103.27 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.8 t -147.73 119.26 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -146.84 -163.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m -95.92 100.67 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.584 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 1.4 t -135.02 130.46 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -85.81 173.63 9.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.98 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -84.84 45.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.652 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 87.1 mt-10 -139.13 108.4 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -35.36 145.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.562 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.8 t -120.37 5.41 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 133.99 47.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.202 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.47 32.46 10.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.562 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 1.3 pt20 -75.09 166.13 24.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -132.75 -2.77 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.693 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.76 155.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.693 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 4.5 t -90.18 117.08 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -29.93 20.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -88.11 116.45 66.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.372 1.045 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.78 9.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.64 6.42 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.391 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.86 165.35 16.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.18 112.03 5.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.467 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.95 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.4 t80 -111.36 147.03 36.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.6 128.3 46.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.572 1.17 . . . . 0.0 108.334 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -64.37 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -154.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.13 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -146.91 29.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.04 -84.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -84.48 114.9 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.93 118.13 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -147.66 -165.51 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.571 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.7 m -99.11 112.14 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.158 . . . . 0.0 108.237 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.451 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -105.58 137.6 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.451 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -86.49 157.64 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.668 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -54.84 -41.86 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.98 44.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' SER . 36.3 mt-10 -145.72 111.89 5.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.647 1.217 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.23 154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -122.16 0.58 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 108.371 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.915 HD11 ' O ' ' A' ' 29' ' ' ALA . 39.0 mt -37.14 111.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.64 49.18 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.6 pm0 -74.73 143.83 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -14.42 23.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 110.202 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.44 152.09 41.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.6 Cg_endo -74.88 168.76 24.1 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.58 115.32 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -26.5 12.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.791 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 54.9 m-20 -67.44 142.96 96.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -83.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.96 52.67 2.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 109.385 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -79.94 162.14 25.11 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.5 96.31 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.86 86.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 25.6 t80 -96.94 145.69 25.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.1 m -120.93 125.11 46.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.7 tpp180 -65.61 -66.42 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -156.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -77.24 -62.83 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.12 77.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.915 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.39 -70.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.19 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -95.13 110.4 22.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -147.22 115.1 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.348 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -142.69 173.44 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.1 m -74.46 129.74 38.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.328 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.568 HH11 HD21 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 7.2 p . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.8 t -106.08 146.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 22.1 mmm-85 -85.95 173.83 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.93 HD21 ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -65.02 -47.58 76.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 45.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' SER . 20.1 mt-10 -146.38 108.37 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.41 153.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.89 3.04 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 108.316 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 29' ' ' ALA . 3.3 mt -37.51 119.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.78 50.99 18.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 2.0 tt0 -94.23 130.1 40.6 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.433 0.725 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -24.11 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.802 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -94.88 156.55 37.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.802 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.52 136.56 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' VAL . 46.3 m -51.07 -39.25 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 108.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -97.7 117.89 64.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -24.02 13.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.1 23.77 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -103.17 165.26 11.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.76 104.87 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.437 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.26 84.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.248 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.0 t80 -98.73 147.78 24.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 111.014 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -119.21 127.16 53.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.93 -66.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -156.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -77.07 -62.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -146.25 77.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.55 -79.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.188 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -84.67 108.54 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.8 114.89 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.356 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.91 172.8 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.77 125.7 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.221 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.93 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -139.16 148.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -86.71 175.13 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.798 HD23 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -63.37 -55.85 21.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.58 45.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' SER . 48.3 mt-10 -134.03 107.76 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.26 143.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 t -123.72 8.93 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -68.59 128.97 38.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.87 44.48 81.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.534 HE22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -95.08 169.22 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.737 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.9 -1.82 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.699 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.13 155.28 68.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.699 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -174.22 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.437 1.756 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 1.1 t -103.97 121.52 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 108.395 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -29.99 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 5.1 m-20 -82.59 127.96 68.4 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -29.44 8.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.69 32.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.56 134.36 55.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -124.8 116.2 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.452 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.61 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 108.333 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.4 t80 -109.53 147.47 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.98 133.46 50.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.327 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -65.6 -39.57 91.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.67 -165.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -78.93 -48.17 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.81 75.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.15 113.76 21.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 4.7 t -146.91 117.99 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 108.364 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -147.26 -164.82 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.924 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.1 m -97.44 107.01 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.798 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.499 HG13 ' CB ' ' A' ' 6' ' ' GLU . 2.5 t -136.72 139.09 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 165.84 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.76 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -53.7 -48.4 69.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -88.94 45.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.555 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.2 mt-10 -143.05 113.21 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.76 150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.106 . . . . 0.0 110.048 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.544 ' CB ' HE21 ' A' ' 11' ' ' GLN . 4.3 t -129.5 8.92 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 108.254 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 131.71 37.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.43 16.15 66.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.544 HE21 ' CB ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -95.23 127.72 41.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 0.0 110.366 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -3.74 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -100.79 156.41 35.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.659 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.39 1.731 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -105.94 122.86 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -26.35 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 112.47 60.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.32 10.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.06 30.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -103.95 175.03 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.35 92.84 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 7.8 t -63.67 79.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 24' ' ' CYS . 15.8 t80 -130.43 158.26 40.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -114.29 135.36 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.401 1.063 . . . . 0.0 108.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.605 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -47.65 76.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.372 1.045 . . . . 0.0 110.301 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.605 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.8 t80 -87.93 -155.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.63 -67.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.94 75.31 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.12 -84.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 3.4 m-85 -84.28 97.8 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.7 t -126.96 117.55 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -146.15 -168.12 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -95.93 112.29 24.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.76 ' NH1' HD21 ' A' ' 4' ' ' LEU . 5.2 tpt85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.779 HG12 ' SG ' ' A' ' 33' ' ' CYS . 53.7 t -133.67 118.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.421 HH21 ' N ' ' A' ' 17' ' ' ASP . 1.2 mmp_? -80.57 162.15 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.698 HD21 HH12 ' A' ' 34' ' ' ARG . 2.0 tp -46.65 -35.88 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 45.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.57 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.3 mt-10 -145.38 109.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -46.69 152.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.567 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.0 t -115.44 -0.32 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -46.55 121.99 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.54 45.01 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.703 ' OE1' HG21 ' A' ' 2' ' ' VAL . 6.3 pt20 -74.71 176.16 7.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 0.797 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -132.7 -2.61 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.443 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -123.97 152.92 67.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -176.15 2.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 m -92.74 115.54 28.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -52.56 13.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.421 ' N ' HH21 ' A' ' 3' ' ' ARG . 0.7 OUTLIER -73.81 134.11 78.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.59 5.89 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.82 144.78 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -145.41 156.17 43.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 t -60.42 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.8 t80 -102.34 150.51 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 45.7 m -130.17 133.83 46.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 108.328 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -75.85 -65.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.86 -155.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -77.07 -63.46 1.36 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.26 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -70.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -86.83 115.85 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 67.9 m -146.43 114.11 6.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.75 -166.05 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 2' ' ' VAL . 13.8 m -85.47 81.99 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.319 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.698 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG2' ' OE1' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -106.2 146.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.42 171.98 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -63.91 -53.36 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.75 46.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.64 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -139.44 108.11 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -39.11 155.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -122.35 1.12 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 108.343 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 mt -36.93 127.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.37 50.83 4.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.508 ' OE1' ' CG2' ' A' ' 2' ' ' VAL . 9.0 tt0 -89.93 158.44 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.757 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 36.9 tt0 -133.09 -4.59 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -112.11 156.59 41.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.4 1.737 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.3 133.09 36.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 55.0 m -51.54 -41.64 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.12 127.61 54.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.23 10.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.96 29.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.08 120.9 41.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -108.98 122.19 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 40.0 t -60.04 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.6 t80 -93.83 141.59 28.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -120.53 124.99 46.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 108.349 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.03 -65.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -155.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -62.24 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.367 1.042 . . . . 0.0 111.012 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.33 77.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -80.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.58 108.46 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.67 116.65 7.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.635 1.21 . . . . 0.0 108.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.11 -176.81 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.907 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.8 m -83.55 115.75 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' PRO . 1.4 t -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.403 1.064 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CZ ' ' OD2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -85.35 162.22 19.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 20' ' ' ALA . 7.4 tt -55.86 -52.37 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -84.85 46.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.5 mt-10 -142.03 108.98 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.76 155.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.95 6.71 7.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 9' ' ' LEU . 7.6 mt -43.72 116.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.58 42.54 4.67 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.52 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 11.5 pt20 -76.67 144.58 39.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -16.27 21.3 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.16 146.08 35.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.777 . . . . 0.0 111.018 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' HG12 ' A' ' 2' ' ' VAL . 2.0 m -90.53 118.2 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.348 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -31.38 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 3' ' ' ARG . 17.4 m-20 -82.46 117.99 70.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.92 10.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.376 1.724 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.35 25.07 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.18 134.0 55.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -113.2 114.03 26.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.84 89.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -126.69 158.85 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -112.31 128.18 56.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -46.42 80.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -89.67 -154.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -68.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -147.7 72.19 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.04 -78.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 4.5 m-30 -86.72 107.72 18.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.063 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 7' ' ' SER . 82.5 m -126.13 112.23 15.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -145.73 -175.6 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 111.077 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -92.51 119.61 32.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 13.0 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.639 HG21 ' OE1' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -133.92 134.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.462 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 1.9 mmp_? -79.22 173.31 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -59.28 -58.6 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -84.04 47.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.56 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 27.4 mt-10 -134.22 106.73 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.66 152.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.86 -4.83 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -41.85 120.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.28 63.8 2.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -95.3 165.34 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.27 -3.19 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -129.49 157.08 77.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 7.5 t -90.22 121.56 32.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 108.238 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.32 -26.48 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 12.4 m-20 -86.99 122.28 71.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -32.69 5.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.4 38.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -117.14 153.73 32.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.81 118.36 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.6 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.345 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.9 t80 -94.54 146.44 24.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 37.8 m -126.04 129.78 49.84 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -76.66 -64.71 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -157.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.6 -63.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -145.91 77.02 1.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.594 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -153.53 -71.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.1 m-85 -87.4 115.68 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' SER . 44.5 m -145.3 112.05 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.65 -179.13 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.765 ' O ' HD13 ' A' ' 4' ' ' LEU . 8.3 m -78.61 113.87 17.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.251 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' NH1' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.3 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.422 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.3 t -106.21 139.37 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -74.4 171.94 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -65.22 -47.23 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -86.85 44.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.556 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -141.49 106.89 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -40.75 149.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.55 3.75 10.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 108.202 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -61.28 115.39 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.46 21.4 79.58 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 2.5 pt20 -78.3 165.16 24.19 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.458 0.74 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.89 -3.9 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -116.21 155.33 48.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 167.76 26.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -85.0 133.15 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 57.1 m -53.67 -41.63 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 108.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.09 119.14 71.52 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.72 11.56 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -110.63 158.08 18.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -134.64 115.21 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 85.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.341 1.026 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.0 t80 -93.63 143.42 26.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -125.82 123.34 38.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.319 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.55 -60.78 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -156.19 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.01 -64.48 1.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.23 77.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.17 -40.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -131.53 111.03 11.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.83 113.15 5.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.33 171.83 14.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.97 125.28 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.661 HG12 ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -88.52 132.33 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.383 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 9.0 mmm-85 -83.54 164.06 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 110.339 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.668 HD21 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -51.82 -41.36 61.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 47.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.644 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.509 ' CB ' HG13 ' A' ' 2' ' ' VAL . 20.9 mt-10 -140.28 108.62 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -43.73 154.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.9 -3.42 11.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.283 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.024 HD11 ' O ' ' A' ' 29' ' ' ALA . 31.0 mt -40.0 111.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.35 43.8 14.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.394 1.059 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -74.71 174.16 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 110.304 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.48 -1.58 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.208 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.566 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -123.1 148.94 55.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 172.54 16.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 m -74.77 114.58 13.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.607 1.192 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.17 -28.02 1.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.42 132.8 23.55 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.08 7.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.9 25.95 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.74 159.44 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.68 90.42 2.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 13.6 t -47.12 90.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.6 t80 -104.48 145.45 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -123.2 128.17 49.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 108.216 -179.9 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.16 -166.67 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 -47.1 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.9 73.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.024 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.21 -95.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m-85 -84.48 114.66 22.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -148.0 114.81 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.415 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -146.85 171.26 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.971 -179.904 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.661 ' SG ' HG12 ' A' ' 2' ' ' VAL . 44.5 m -66.02 108.46 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.668 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -134.91 127.84 49.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.5 mmp_? -79.62 174.87 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.807 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -61.79 -49.31 76.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 4.7 p80 -86.8 45.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.53 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' SER . 47.3 mt-10 -138.44 110.58 7.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.3 147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -124.67 4.17 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 136.12 50.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.49 45.71 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.527 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -96.05 167.36 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.435 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.46 -2.87 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.91 153.38 47.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -105.36 116.72 32.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -30.97 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 39.6 m-20 -87.76 122.21 70.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -27.43 10.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.53 30.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.915 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.73 128.13 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.1 p -115.76 129.91 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.87 82.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.6 t80 -99.95 146.89 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -131.62 122.48 26.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.46 -50.22 70.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -160.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.52 75.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.39 -83.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.328 1.018 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 77.6 m-85 -84.5 106.85 16.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -146.27 121.91 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -146.69 -165.18 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.915 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.1 m -93.13 112.14 24.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.807 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 142.08 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.91 164.2 26.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 3.1 tt -60.34 -54.03 50.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.38 46.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.669 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' SER . 46.0 mt-10 -139.32 108.43 6.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.4 153.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.65 -0.46 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -39.12 110.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.12 61.75 5.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.525 HE22 HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -95.18 141.95 28.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -95.6 -18.81 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.627 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -114.39 152.57 46.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.627 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -94.64 124.28 38.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 108.222 -179.92 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -33.69 62.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.44 123.66 78.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.32 7.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.02 33.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -117.17 134.86 54.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -120.99 119.36 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 110.346 -179.884 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 48.6 t -59.31 83.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.352 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 t80 -94.23 141.37 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.22 123.46 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 108.3 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.58 -43.05 95.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.54 -164.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -52.01 9.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -148.48 75.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.84 -48.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.2 m-85 -132.86 114.7 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -149.6 112.45 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.78 -175.58 4.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 111.097 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.4 m -89.16 117.46 28.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 8.6 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -133.22 145.2 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.38 165.88 24.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.219 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -63.22 -54.2 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -84.74 46.04 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' SER . 25.0 mt-10 -138.96 108.3 6.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.58 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.953 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -127.13 6.22 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 29' ' ' ALA . 13.4 mt -38.94 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 63.77 51.08 56.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' CYS . 8.5 pt20 -89.11 132.54 34.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -95.75 -10.95 27.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.9 156.17 43.05 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.619 1.852 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.32 131.58 41.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 73.0 m -51.06 -43.84 61.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.9 122.16 72.89 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.335 1.022 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.04 11.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.21 29.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -106.91 146.69 30.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -122.64 101.83 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -63.74 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.1 t80 -100.21 150.89 22.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -120.69 124.64 45.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -65.85 -65.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.45 -155.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.94 -63.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.06 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -146.45 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.003 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.56 -71.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -95.1 107.81 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.97 113.8 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -146.54 174.16 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.628 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -78.9 117.87 20.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 33' ' ' CYS . 41.2 t -134.08 120.04 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.61 162.85 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.38 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.82 HD21 ' NH1' ' A' ' 34' ' ' ARG . 7.4 tp -48.55 -36.86 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.57 46.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 109.539 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.564 ' CB ' HG13 ' A' ' 2' ' ' VAL . 30.5 mt-10 -143.75 109.92 5.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -47.94 157.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.67 -3.09 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 27.6 mt -39.58 113.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.79 44.32 8.56 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.397 1.06 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -76.78 172.23 13.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 0.798 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -133.76 -2.72 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.54 153.36 50.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.04 116.49 17.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 108.244 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -55.71 -42.28 75.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.349 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.901 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -56.36 160.01 5.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.93 45.62 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -80.56 159.72 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.83 104.49 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.71 88.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.267 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.1 t80 -99.19 145.29 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.54 127.64 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.918 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.5 -40.98 96.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -166.08 1.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -79.73 -48.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -145.92 74.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.48 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.1 m-85 -84.68 113.1 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -148.25 115.09 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.254 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.33 172.93 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 2' ' ' VAL . 57.0 m -70.29 116.61 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.261 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.82 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.4 129.15 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 175.01 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -62.94 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.389 1.056 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.55 45.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 7' ' ' SER . 53.6 mt-10 -136.98 110.98 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -31.73 145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 2.9 t -121.68 0.28 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -64.94 117.61 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.5 87.4 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.569 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 3.8 pt20 -75.07 130.03 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.62 -4.37 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -124.21 155.7 67.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.394 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.07 169.45 22.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -91.37 118.3 30.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -32.05 12.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.01 120.14 68.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 3.43 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -89.79 129.32 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' TYR . 14.1 p -112.35 129.16 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.06 81.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 t80 -96.12 144.69 26.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.43 122.1 25.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.369 1.043 . . . . 0.0 108.253 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.561 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.86 -51.06 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.16 -157.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.42 -61.42 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -146.97 76.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.382 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -78.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 15.7 m-85 -89.59 103.6 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 5.6 t -146.31 124.93 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.229 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.87 -167.51 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.933 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.3 m -94.22 97.48 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 108.366 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.452 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -134.53 144.28 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.378 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -84.22 174.23 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -60.53 -53.11 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -84.91 45.69 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.375 1.047 . . . . 0.0 109.624 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.702 ' HB3' HG22 ' A' ' 2' ' ' VAL . 30.0 mt-10 -135.57 110.19 8.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.58 145.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.06 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.617 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.5 t -126.99 4.11 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.344 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.2 114.46 3.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.22 33.44 87.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.617 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 1.4 pt20 -78.33 131.54 37.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -12.0 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.74 155.55 40.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.207 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.97 170.91 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG12 ' A' ' 2' ' ' VAL . 6.3 t -97.69 119.29 36.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -33.59 63.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 108.362 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.9 m-20 -76.03 120.71 82.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.23 8.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.61 30.65 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.11 149.4 30.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -138.46 130.36 28.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 110.469 179.953 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 t -62.07 80.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -98.15 142.76 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.627 1.205 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -128.35 125.73 39.28 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.96 -45.85 84.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.7 -158.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.79 -57.76 3.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -147.4 76.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.54 -86.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.9 m-85 -84.25 109.91 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.37 124.61 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.439 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.09 -167.54 2.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 9.8 m -92.9 95.24 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.448 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 17.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -135.33 150.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.448 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.4 168.2 14.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.588 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -63.66 -48.3 77.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -87.68 43.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.565 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.0 mt-10 -138.5 106.49 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -36.71 146.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.92 -4.66 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 108.25 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -48.64 113.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.11 68.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 5.6 tp60 -78.05 151.44 33.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.544 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.3 tt0 -127.48 -8.54 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.79 160.02 29.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.05 160.9 39.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.51 126.78 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -26.14 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 18.8 m-20 -67.26 145.32 98.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -83.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.375 1.724 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.35 52.61 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -86.02 158.4 19.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.16 103.15 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.67 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 108.355 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -95.47 144.27 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -125.45 124.57 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -64.74 -59.32 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.81 -156.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -77.23 -63.32 1.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.25 76.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -40.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.05 108.59 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -148.11 114.84 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -144.83 173.45 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.09 132.27 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.54 HH11 HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.12 167.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.912 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.502 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -85.3 167.47 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -66.47 -60.2 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.38 49.85 1.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 13.0 mt-10 -142.0 112.63 7.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -40.46 155.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.24 5.95 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 29' ' ' ALA . 26.8 mt -43.12 96.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 74.83 44.17 25.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.6 pt20 -86.81 140.98 29.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -96.52 -19.06 19.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.234 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.71 150.79 42.27 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -174.26 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.407 1.741 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.51 130.93 35.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.131 . . . . 0.0 108.375 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -51.94 -39.99 60.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.58 136.06 27.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.13 12.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.3 7.18 20.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.18 153.6 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -139.27 92.45 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.398 -179.918 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 33.0 t -57.65 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -126.46 158.67 35.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -113.66 129.19 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.303 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.618 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.366 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.618 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.3 t80 -88.5 -155.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -67.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -147.43 73.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.983 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -147.82 -83.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.6 m-85 -83.96 108.49 16.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 0.8 OUTLIER -136.61 118.44 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -145.28 176.48 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 111.065 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 2' ' ' VAL . 38.9 m -75.15 101.76 4.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 6.6 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.588 HG21 ' OE1' ' A' ' 11' ' ' GLN . 1.1 t -105.91 159.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.8 mmp_? -79.57 170.77 16.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' A' ' 34' ' ' ARG . 1.2 tt -66.42 -60.21 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 48.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 20.9 mt-10 -136.87 107.08 6.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.08 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -123.62 1.07 8.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 108.224 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 63.7 mt -37.91 105.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.04 56.91 13.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.588 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -95.26 172.22 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -132.94 -2.63 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -128.47 156.47 77.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.595 1.184 . . . . 0.0 109.371 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.03 -175.97 2.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 17' ' ' ASP . 84.6 m -85.33 121.12 27.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 108.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.34 -28.6 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -91.24 135.52 28.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.95 6.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.35 29.76 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -110.4 146.19 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.19 109.35 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.954 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.4 t -57.81 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.301 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -101.15 145.24 29.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.56 123.56 39.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.1 tpp180 -63.36 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.53 -151.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.95 -62.55 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.62 30.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.55 -39.71 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.85 112.38 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -149.04 113.59 5.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 108.372 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.86 174.91 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LEU . 31.7 m -76.02 129.91 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' NH1' HD21 ' A' ' 4' ' ' LEU . 14.6 tpt85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.95 141.39 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -79.98 177.76 8.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 33' ' ' CYS . 1.2 tm? -64.84 -55.62 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -89.43 47.52 1.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 21.9 mt-10 -130.56 106.58 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.16 152.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -120.64 0.51 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -38.7 118.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 36.54 65.57 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.508 HE22 HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.99 176.37 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.786 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.75 -2.8 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.727 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -126.28 151.66 72.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.95 -175.43 2.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.99 120.26 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.64 1.212 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -50.27 -31.12 13.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.371 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.3 m-20 -81.47 127.06 74.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.81 5.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.417 1.746 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.17 31.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -108.05 111.84 24.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 8.5 p -103.75 119.59 39.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.82 81.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.8 t80 -93.92 141.96 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -123.91 121.03 34.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.558 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.44 -52.37 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -159.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.79 -61.39 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.185 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -146.22 76.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.66 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.49 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.9 m-85 -95.26 108.18 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.36 116.35 6.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 108.257 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.65 -176.28 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.929 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 19.7 m -79.34 131.39 36.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.413 HG21 ' OE1' ' A' ' 11' ' ' GLN . 2.4 t -135.1 137.26 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 10.2 mmm-85 -83.34 173.57 11.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -57.68 -58.55 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.72 47.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 0.0 109.543 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.2 mt-10 -136.69 105.63 5.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.11 153.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.34 6.88 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.0 mt -42.55 119.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.209 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.39 43.76 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 11.5 pt20 -76.1 135.98 39.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 0.79 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -95.59 -11.53 27.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.29 152.33 45.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.65 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -98.62 121.46 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.221 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -51.95 -27.18 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.5 m-20 -89.25 116.59 66.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.36 34.2 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -106.03 156.33 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.625 HG23 ' HB3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.43 103.79 6.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.24 81.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 t80 -94.09 145.11 24.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -123.44 121.26 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.62 -66.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -156.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.09 -62.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -145.87 77.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.232 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.65 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.61 -77.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 m-30 -86.92 105.04 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.6 t -146.49 116.01 7.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -146.35 178.03 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.914 ' O ' HD13 ' A' ' 4' ' ' LEU . 1.3 m -82.25 121.12 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 108.337 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.625 ' HB3' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.13 126.68 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 109.4 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 16.8 mmm-85 -79.36 175.53 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.826 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -59.1 -52.86 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 28.4 t-80 -86.11 45.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.637 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 7' ' ' SER . 33.9 mt-10 -135.86 111.39 9.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -32.73 146.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.904 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -122.07 4.97 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.32 136.42 44.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.4 28.66 14.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -77.16 158.86 30.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.58 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 mt-30 -127.9 -20.15 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -102.37 156.15 35.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.908 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 163.1 35.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 8.7 t -85.08 116.67 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.336 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -29.99 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.98 119.7 65.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -26.92 10.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.79 9.1 15.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.909 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -96.7 129.75 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' TYR . 22.8 p -113.27 130.73 56.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.458 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.42 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.7 t80 -99.93 144.74 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.11 124.62 26.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.387 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -63.41 -61.66 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.179 -179.906 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.37 -156.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -77.02 -64.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.65 76.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.96 -39.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.3 m-85 -130.88 107.22 8.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -147.39 121.07 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.89 -166.13 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.909 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 7.6 m -93.19 95.75 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.826 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.6 p . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.554 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -104.98 166.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.14 168.36 14.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -65.16 -56.37 13.25 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.62 ' CD2' HD23 ' A' ' 4' ' ' LEU . 61.5 m170 -84.75 46.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 109.683 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 18.4 mt-10 -139.97 111.51 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.01 151.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -134.86 10.24 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 126.66 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.38 40.32 53.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 6.9 tt0 -96.75 154.95 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -27.93 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -96.9 145.64 29.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.94 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.463 1.77 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.554 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -95.46 131.15 41.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 29.4 m -54.84 -40.79 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 108.262 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -90.82 114.95 63.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -25.22 12.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.89 13.06 7.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.373 1.045 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -85.16 178.15 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -137.79 86.81 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.5 t -65.76 75.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -117.39 156.6 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -114.31 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.84 -46.33 82.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.614 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -88.29 -155.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.195 . . . . 0.0 110.987 -179.942 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -77.77 -67.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -146.32 75.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.11 -83.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-30 -84.67 100.93 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.8 t -131.4 115.29 16.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -144.49 177.32 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -82.76 123.53 29.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 tpt85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.5 t -134.23 138.23 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.44 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.1 mmp_? -81.85 173.21 12.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.925 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -64.48 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -86.6 45.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -138.07 105.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.199 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.98 149.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.0 -1.08 10.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 108.355 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.1 pp -55.85 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.28 20.23 33.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.83 158.3 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.357 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.89 -20.32 3.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.38 155.38 36.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.44 31.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.32 124.59 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 108.226 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -28.96 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.928 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 16.8 m-20 -85.22 120.24 73.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 -31.38 6.49 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.54 35.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -112.37 147.47 36.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -132.79 110.22 10.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -57.72 85.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 108.247 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.9 t80 -93.55 140.87 29.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -124.37 126.62 46.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -74.74 -63.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.98 -155.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -63.24 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -145.81 77.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.56 -71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.11 101.69 13.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' SER . 6.3 t -145.93 114.18 6.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 108.292 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 178.11 8.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -81.14 116.2 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.32 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 179.965 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.624 HG12 ' SG ' ' A' ' 33' ' ' CYS . 16.8 t -105.09 134.47 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.522 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -85.71 158.58 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -46.78 -39.71 12.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.68 46.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.615 ' CB ' HG13 ' A' ' 2' ' ' VAL . 58.8 mt-10 -144.51 108.27 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -44.61 155.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.936 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.29 -4.05 11.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' CYS . 19.7 mt -39.27 112.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.07 52.34 10.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.409 1.068 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -89.88 171.35 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -133.74 -2.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.577 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.25 147.15 37.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.05 27.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -72.01 114.39 10.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.397 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.89 -28.84 58.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.639 1.212 . . . . 0.0 108.334 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -66.61 158.71 78.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 -84.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.34 48.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -96.4 153.73 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -143.77 126.34 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 35.0 t -59.03 88.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.9 t80 -93.76 137.58 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -127.04 122.55 34.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 108.325 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.67 -28.41 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.13 -166.28 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.39 -50.42 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -147.64 75.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.66 -52.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 10.0 m-85 -133.53 114.27 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.1 t -148.81 114.54 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.05 178.47 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG12 ' A' ' 2' ' ' VAL . 35.2 m -75.64 137.11 40.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.449 1.093 . . . . 0.0 108.366 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.638 HG21 ' OE1' ' A' ' 11' ' ' GLN . 7.2 t -135.34 116.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.536 HH21 ' N ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -80.3 166.9 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -53.33 -38.23 63.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.38 45.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.612 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.0 mt-10 -139.97 110.9 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.45 157.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.379 1.049 . . . . 0.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.55 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.8 t -128.13 5.35 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.62 HD22 ' OD1' ' A' ' 28' ' ' ASN . 50.0 mt -40.45 114.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.22 51.37 0.92 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.638 ' OE1' HG21 ' A' ' 2' ' ' VAL . 7.5 pt20 -74.87 164.71 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.66 -2.97 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.04 156.63 40.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.13 168.48 24.66 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.571 1.827 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.4 m -98.7 126.13 44.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.59 -41.17 69.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 108.335 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.536 ' N ' HH21 ' A' ' 3' ' ' ARG . 12.9 m-20 -79.77 124.47 83.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.72 7.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.82 30.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -115.86 123.43 48.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' TYR . 17.4 p -111.98 126.65 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.31 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.6 t80 -109.37 146.99 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -127.07 -149.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.3 tpp180 -163.62 -64.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -155.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.7 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.62 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.6 t-20 -148.13 77.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 -75.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.5 m-85 -84.06 93.31 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -148.32 112.1 5.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.79 -163.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -98.25 119.47 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' C ' ' CZ ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.531 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -99.36 149.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -85.32 167.17 15.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.373 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -57.08 -53.16 61.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.6 1.187 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -84.28 46.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.15 103.75 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -41.31 148.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.948 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.83 3.24 12.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.357 1.035 . . . . 0.0 108.302 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 29' ' ' ALA . 2.1 pp -61.44 101.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.4 28.74 26.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.497 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.08 170.23 9.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.606 0.827 . . . . 0.0 110.27 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -2.63 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -113.06 148.42 39.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.401 179.944 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.561 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 71.8 m -82.61 113.88 20.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.234 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -49.62 -26.35 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 7.9 m-20 -92.83 140.33 23.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -33.97 4.27 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.71 38.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -123.71 136.51 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -129.34 115.39 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.455 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 43.5 t -53.95 88.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 t80 -101.08 141.4 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -122.34 -152.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.353 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.1 tpp180 -162.51 -63.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.51 -154.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -64.31 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.22 78.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -156.07 -76.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.7 m-85 -84.04 95.86 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -149.62 111.78 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.45 177.83 8.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 2' ' ' VAL . 10.1 m -83.35 106.26 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.42 HG21 ' CD ' ' A' ' 11' ' ' GLN . 1.4 t -134.29 147.83 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 5.9 mmm-85 -80.04 168.12 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 8.8 tt -60.93 -53.35 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 26.1 t-80 -84.4 46.37 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.537 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -141.56 107.96 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.46 156.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -130.01 8.39 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 108.36 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 29' ' ' ALA . 10.3 mt -38.71 115.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.63 64.42 1.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.66 179.34 5.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 0.811 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -132.62 -3.0 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.6 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -127.14 152.7 76.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.66 121.32 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -26.77 8.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -94.55 115.05 64.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.21 9.78 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -100.96 159.54 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -137.12 109.01 7.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -65.92 91.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -124.67 155.89 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -108.82 127.5 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -70.06 -47.57 61.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -90.35 -156.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -67.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.1 73.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.988 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -148.56 -85.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -84.42 121.79 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 2.0 t -144.74 114.7 7.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.616 1.197 . . . . 0.0 108.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.2 -179.66 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.901 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -86.63 118.85 26.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 11.9 tpt85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.407 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -134.56 136.57 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.65 170.93 14.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.231 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.866 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -65.28 -49.59 68.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.09 45.62 1.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' SER . 52.0 mt-10 -138.17 106.08 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.61 148.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.889 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.61 2.82 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -58.17 115.72 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.14 30.29 77.03 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.493 1.12 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.93 173.55 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.759 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.86 -2.92 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.691 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.94 152.72 70.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.691 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.0 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.98 116.2 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.366 1.042 . . . . 0.0 108.275 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.4 -31.72 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.331 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 -83.53 114.66 54.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.68 9.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.432 1.754 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.28 29.74 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -101.16 156.78 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -133.51 98.06 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.15 84.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.8 t80 -98.35 147.85 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -120.04 126.55 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 108.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -69.06 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -154.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.213 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -76.82 -63.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -146.96 78.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -155.79 -72.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -92.84 106.69 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.96 114.69 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.23 173.34 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -76.97 126.3 30.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.866 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 28.6 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.0 t -143.9 148.14 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.9 mmp_? -85.51 169.23 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -57.64 -53.64 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 45.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.533 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.3 mt-10 -138.32 111.18 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.0 141.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 t -126.16 5.13 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -56.84 131.0 48.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.07 56.45 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.547 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.26 144.07 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.39 -5.34 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.89 152.59 70.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -74.98 -174.09 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -103.63 124.16 48.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.269 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.36 -27.15 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' CB ' HD12 ' A' ' 4' ' ' LEU . 20.6 m-20 -91.2 113.25 57.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.81 12.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 23.04 2.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -109.8 163.78 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -136.99 119.17 15.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -71.77 84.17 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -110.97 152.01 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -123.71 125.77 45.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.54 -65.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -156.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.19 -63.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -146.56 76.51 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.59 -79.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -84.33 107.01 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.1 t -146.03 120.45 9.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.09 -165.11 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -101.73 105.07 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 108.354 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.448 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 26.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -133.81 134.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.15 38.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.206 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -50.93 -38.13 48.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.35 44.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' SER . 88.4 mt-10 -145.46 110.12 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.16 154.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -123.37 5.71 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 108.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 29' ' ' ALA . 9.0 mt -41.91 115.83 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.18 50.11 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.625 1.203 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.3 pm0 -81.36 143.53 32.12 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 0.798 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.56 -13.35 23.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.74 151.7 42.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.94 170.5 20.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.8 127.63 35.01 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' VAL . 62.1 m -47.2 -50.1 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -83.31 118.46 71.64 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -25.68 11.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.13 28.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -96.75 170.2 9.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.44 99.6 3.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.0 t -60.58 84.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 108.267 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.1 t80 -97.32 146.66 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.365 1.041 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -119.15 125.9 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.354 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.61 -66.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -155.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.2 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.57 77.41 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.695 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -80.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.79 108.89 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.84 114.57 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 174.93 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -76.82 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 HH11 HD21 ' A' ' 4' ' ' LEU . 5.1 tpt85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.49 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 33' ' ' CYS . 2.5 t -107.18 142.71 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.12 160.45 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' A' ' 20' ' ' ALA . 1.1 tp -49.61 -48.74 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.96 45.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' CB ' HG13 ' A' ' 2' ' ' VAL . 15.0 mt-10 -145.97 112.17 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.97 154.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 18.7 t -126.46 9.04 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.637 1.21 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' GLY . 5.6 mt -39.91 117.43 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.72 62.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.62 139.46 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.72 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -95.75 -5.35 42.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.769 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -112.05 152.72 44.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.769 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.04 -177.56 3.56 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.56 1.821 . . . . 0.0 110.992 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.31 123.9 31.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 108.222 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.68 -25.5 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 108.377 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -104.92 137.63 19.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.29 11.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.454 1.765 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.03 28.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -132.93 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -142.11 145.42 34.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.23 82.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.268 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.6 t80 -110.68 144.46 39.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.24 126.75 41.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.32 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -63.98 -60.57 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.31 -157.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -147.35 76.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.89 -39.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 25.6 m-85 -130.75 109.5 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -147.44 119.32 8.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.41 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.2 -163.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.0 m -92.19 79.9 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.493 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.5 t -135.27 132.55 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 163.66 22.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.422 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.17 47.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 42.0 mt-10 -139.03 113.6 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -35.14 150.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.2 t -124.4 2.07 8.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -48.26 124.61 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.27 63.02 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.618 1.199 . . . . 0.0 111.048 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.507 HE22 HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -95.7 136.12 36.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 0.795 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -95.51 -15.9 22.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.648 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -106.6 155.89 38.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.08 178.68 6.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.1 m -101.3 124.86 47.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.388 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -28.07 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.66 116.89 67.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.65 28.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -114.44 159.72 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.62 132.78 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.01 83.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 t80 -103.47 145.27 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.83 125.96 42.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.19 . . . . 0.0 108.244 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -65.72 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.31 -156.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -77.26 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.04 76.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.43 -79.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.3 m-85 -85.66 110.31 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.46 119.9 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.407 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -145.32 -163.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.03 100.16 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 4.7 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.1 t -105.26 136.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -73.88 165.46 25.09 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.474 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -56.92 -53.25 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.16 45.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.4 mt-10 -139.39 109.31 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.33 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.48 1.3 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -43.19 115.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.42 55.53 3.09 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -83.01 151.51 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.381 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.32 -31.51 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -107.65 155.88 38.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.2 Cg_endo -75.06 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.92 131.64 36.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.651 1.219 . . . . 0.0 108.243 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 85.7 m -51.17 -44.9 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 4' ' ' LEU . 6.6 m-20 -88.42 116.45 66.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.45 12.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.77 25.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -98.34 165.17 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -131.79 99.03 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.96 85.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 108.235 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -100.83 148.48 24.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -119.36 126.61 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -67.61 -66.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.98 -156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -76.84 -62.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -146.39 77.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.6 -78.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -86.72 108.69 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -146.71 114.6 6.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.337 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.33 174.94 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -78.7 128.68 33.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -136.0 143.77 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 2.6 mmp_? -86.66 169.96 12.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.93 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -56.35 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -84.99 47.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.583 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.8 mt-10 -135.26 111.33 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.09 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -124.21 2.88 8.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLY . 1.4 mt -44.82 124.7 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 33.36 62.62 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.553 HE22 HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -95.15 137.72 33.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 0.753 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -15.22 23.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.692 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.96 151.95 42.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.378 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.424 1.75 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 3.5 t -98.38 125.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.245 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.55 -26.51 32.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.244 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' OD2' ' NH2' ' A' ' 3' ' ' ARG . 5.0 m-20 -89.27 128.83 49.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.61 8.02 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.55 28.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -107.94 129.71 55.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.9 p -122.22 127.82 50.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.85 83.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.0 t80 -99.91 145.89 27.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -129.85 124.15 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -64.57 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -156.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.98 -62.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -146.39 76.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -79.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.2 m-85 -84.56 107.95 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.87 122.23 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.33 -164.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.93 ' O ' HD13 ' A' ' 4' ' ' LEU . 3.3 m -93.41 106.99 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 6' ' ' GLU . 37.2 t -105.03 132.06 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -79.2 160.94 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.748 HD23 HH12 ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.67 -41.6 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.57 48.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.38 1.05 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.746 ' HB3' HG13 ' A' ' 2' ' ' VAL . 10.7 mt-10 -145.44 115.72 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -40.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.591 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 4.6 t -126.37 3.97 6.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD11 ' O ' ' A' ' 29' ' ' ALA . 63.1 mt -47.77 106.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.01 45.08 95.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.591 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 2.5 pt20 -74.92 130.78 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.94 -13.44 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.57 157.59 43.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.92 168.6 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 72.2 m -73.84 134.07 43.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.256 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 16.3 m -55.81 -39.63 71.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.38 142.74 26.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.67 10.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.99 27.79 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.59 140.7 49.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -140.37 137.9 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.81 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.172 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.5 t80 -107.47 143.72 35.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -126.98 126.76 43.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.17 . . . . 0.0 108.365 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -66.53 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.13 -156.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -63.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -146.32 77.02 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.677 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.51 -79.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.9 m-85 -84.86 109.62 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.86 120.7 9.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.218 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.69 -164.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.628 1.205 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 22.9 m -86.95 100.44 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.748 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' N ' HG11 ' A' ' 13' ' ' VAL . 4.5 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -136.01 148.89 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.587 1.179 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.7 mmp_? -77.66 161.06 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD12 ' OD2' ' A' ' 17' ' ' ASP . 2.0 tt -60.53 -43.44 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.356 1.035 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -92.25 46.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.535 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 78.6 mt-10 -142.61 109.11 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -42.08 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.06 8.51 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.2 mt -45.07 107.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.404 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.52 46.02 94.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 9.5 pt20 -85.57 173.83 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -133.14 -2.96 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.28 150.82 45.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 -178.25 4.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.2 m -82.65 113.34 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 108.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -36.47 68.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.788 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -60.81 164.65 7.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -83.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.32 46.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.788 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -98.1 145.05 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -142.91 126.67 17.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.459 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.38 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 108.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.3 t80 -94.2 142.61 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.367 1.042 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -122.22 124.39 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.53 -66.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.75 -156.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -77.19 -63.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.33 77.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -72.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -92.32 107.37 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -147.08 115.57 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.61 176.02 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 m -72.01 126.0 28.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 108.334 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' C ' ' HA ' ' A' ' 20' ' ' ALA . 38.9 tpt85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 29.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.12 143.31 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 168.83 19.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.413 1.071 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.86 -55.94 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.94 45.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.561 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 19.9 mt-10 -136.66 107.08 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.63 1.206 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -37.57 153.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.28 -0.54 11.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.597 1.186 . . . . 0.0 108.267 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 29' ' ' ALA . 11.7 mt -37.57 116.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.55 64.2 2.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.179 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.485 HE22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -95.04 171.04 8.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -132.68 -2.92 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.757 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.29 154.37 81.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 179.94 5.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.78 124.94 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.28 -27.48 46.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.5 124.48 60.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.37 9.15 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.531 1.806 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.82 30.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -119.52 137.0 54.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -126.21 124.8 41.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.37 80.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' THR . 19.4 t80 -94.24 141.68 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -124.79 130.75 52.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.15 -36.94 77.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.04 -165.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -47.21 15.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -146.19 74.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.739 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.57 -94.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.7 m-85 -84.6 117.35 23.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -148.63 113.31 5.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.791 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.6 m -88.25 118.23 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 108.351 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 132.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.317 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 174.28 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -62.04 -52.36 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -86.27 46.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.523 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -135.29 110.73 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.567 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.8 t -125.63 3.3 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 1.3 pp -64.11 107.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.53 62.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -76.35 130.97 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.251 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -16.98 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.36 155.48 41.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.99 175.41 11.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.3 t -94.59 122.53 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -36.23 66.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.14 121.21 78.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.18 4.5 30.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -92.61 146.44 23.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -134.83 127.71 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.92 82.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 108.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.5 t80 -103.55 143.03 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -131.13 124.0 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 108.23 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.2 tpp180 -65.31 -56.56 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -156.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.36 -65.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -146.74 76.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.03 -39.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 m-85 -131.31 103.27 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.8 t -147.73 119.26 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -146.84 -163.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m -95.92 100.67 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.584 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 1.4 t -135.02 130.46 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -85.81 173.63 9.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.98 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -84.84 45.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.652 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 87.1 mt-10 -139.13 108.4 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -35.36 145.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.562 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.8 t -120.37 5.41 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 133.99 47.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.202 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.47 32.46 10.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.562 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 1.3 pt20 -75.09 166.13 24.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -132.75 -2.77 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.76 155.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.693 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 4.5 t -90.18 117.08 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -29.93 20.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -88.11 116.45 66.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.372 1.045 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.78 9.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.64 6.42 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.391 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.86 165.35 16.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.18 112.03 5.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.467 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.95 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.4 t80 -111.36 147.03 36.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.6 128.3 46.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.572 1.17 . . . . 0.0 108.334 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -64.37 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -154.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.13 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -146.91 29.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.04 -84.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -84.48 114.9 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.93 118.13 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -147.66 -165.51 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.571 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.7 m -99.11 112.14 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.158 . . . . 0.0 108.237 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.451 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -105.58 137.6 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -86.49 157.64 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.668 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -54.84 -41.86 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.98 44.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' SER . 36.3 mt-10 -145.72 111.89 5.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.647 1.217 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.23 154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -122.16 0.58 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 108.371 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.915 HD11 ' O ' ' A' ' 29' ' ' ALA . 39.0 mt -37.14 111.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.64 49.18 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.6 pm0 -74.73 143.83 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -14.42 23.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 110.202 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.44 152.09 41.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.6 Cg_endo -74.88 168.76 24.1 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.58 115.32 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -26.5 12.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.791 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 54.9 m-20 -67.44 142.96 96.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -83.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.96 52.67 2.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 109.385 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -79.94 162.14 25.11 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.5 96.31 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.86 86.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 25.6 t80 -96.94 145.69 25.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.1 m -120.93 125.11 46.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.7 tpp180 -65.61 -66.42 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -156.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -77.24 -62.83 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.12 77.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.915 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.39 -70.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.19 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -95.13 110.4 22.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -147.22 115.1 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.348 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -142.69 173.44 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.1 m -74.46 129.74 38.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.328 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.568 HH11 HD21 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 7.2 p . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.8 t -106.08 146.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 22.1 mmm-85 -85.95 173.83 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.93 HD21 ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -65.02 -47.58 76.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 45.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' SER . 20.1 mt-10 -146.38 108.37 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.41 153.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.89 3.04 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 108.316 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 29' ' ' ALA . 3.3 mt -37.51 119.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.78 50.99 18.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 2.0 tt0 -94.23 130.1 40.6 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.433 0.725 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -24.11 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.802 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -94.88 156.55 37.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.802 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.52 136.56 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' VAL . 46.3 m -51.07 -39.25 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 108.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -97.7 117.89 64.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -24.02 13.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.1 23.77 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -103.17 165.26 11.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.76 104.87 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.437 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.26 84.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.248 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.0 t80 -98.73 147.78 24.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 111.014 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -119.21 127.16 53.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.93 -66.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -156.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -77.07 -62.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -146.25 77.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.55 -79.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.188 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -84.67 108.54 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.8 114.89 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.356 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.91 172.8 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.77 125.7 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.221 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.93 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -139.16 148.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -86.71 175.13 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.798 HD23 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -63.37 -55.85 21.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.58 45.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' SER . 48.3 mt-10 -134.03 107.76 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.26 143.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 t -123.72 8.93 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -68.59 128.97 38.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.87 44.48 81.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.534 HE22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -95.08 169.22 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.737 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.9 -1.82 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.699 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.13 155.28 68.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.699 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -174.22 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.437 1.756 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 1.1 t -103.97 121.52 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 108.395 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -29.99 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 5.1 m-20 -82.59 127.96 68.4 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -29.44 8.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.69 32.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.56 134.36 55.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -124.8 116.2 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.452 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.61 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 108.333 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.4 t80 -109.53 147.47 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.98 133.46 50.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.327 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -65.6 -39.57 91.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.67 -165.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -78.93 -48.17 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.81 75.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.15 113.76 21.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 4.7 t -146.91 117.99 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 108.364 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -147.26 -164.82 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.924 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.1 m -97.44 107.01 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.798 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.499 HG13 ' CB ' ' A' ' 6' ' ' GLU . 2.5 t -136.72 139.09 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 165.84 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.76 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -53.7 -48.4 69.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -88.94 45.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.555 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.2 mt-10 -143.05 113.21 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.76 150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.106 . . . . 0.0 110.048 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.544 ' CB ' HE21 ' A' ' 11' ' ' GLN . 4.3 t -129.5 8.92 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 108.254 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 131.71 37.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.43 16.15 66.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.544 HE21 ' CB ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -95.23 127.72 41.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 0.0 110.366 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -3.74 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -100.79 156.41 35.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.659 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.39 1.731 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -105.94 122.86 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -26.35 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 112.47 60.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.32 10.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.06 30.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -103.95 175.03 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.35 92.84 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 7.8 t -63.67 79.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 24' ' ' CYS . 15.8 t80 -130.43 158.26 40.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -114.29 135.36 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.401 1.063 . . . . 0.0 108.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.605 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -47.65 76.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.372 1.045 . . . . 0.0 110.301 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.605 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.8 t80 -87.93 -155.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.63 -67.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.94 75.31 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.12 -84.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 3.4 m-85 -84.28 97.8 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.7 t -126.96 117.55 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -146.15 -168.12 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -95.93 112.29 24.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.76 ' NH1' HD21 ' A' ' 4' ' ' LEU . 5.2 tpt85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.779 HG12 ' SG ' ' A' ' 33' ' ' CYS . 53.7 t -133.67 118.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.421 HH21 ' N ' ' A' ' 17' ' ' ASP . 1.2 mmp_? -80.57 162.15 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.698 HD21 HH12 ' A' ' 34' ' ' ARG . 2.0 tp -46.65 -35.88 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 45.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.57 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.3 mt-10 -145.38 109.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -46.69 152.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.567 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.0 t -115.44 -0.32 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -46.55 121.99 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.54 45.01 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.703 ' OE1' HG21 ' A' ' 2' ' ' VAL . 6.3 pt20 -74.71 176.16 7.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 0.797 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -132.7 -2.61 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.443 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -123.97 152.92 67.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -176.15 2.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 m -92.74 115.54 28.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -52.56 13.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.421 ' N ' HH21 ' A' ' 3' ' ' ARG . 0.7 OUTLIER -73.81 134.11 78.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.59 5.89 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.82 144.78 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -145.41 156.17 43.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 t -60.42 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.8 t80 -102.34 150.51 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 45.7 m -130.17 133.83 46.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 108.328 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -75.85 -65.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.86 -155.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -77.07 -63.46 1.36 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.26 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -70.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -86.83 115.85 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 67.9 m -146.43 114.11 6.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.75 -166.05 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 2' ' ' VAL . 13.8 m -85.47 81.99 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.319 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.698 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG2' ' OE1' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -106.2 146.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.42 171.98 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -63.91 -53.36 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.75 46.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.64 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -139.44 108.11 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -39.11 155.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -122.35 1.12 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 108.343 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 mt -36.93 127.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.37 50.83 4.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.508 ' OE1' ' CG2' ' A' ' 2' ' ' VAL . 9.0 tt0 -89.93 158.44 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.757 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 36.9 tt0 -133.09 -4.59 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -112.11 156.59 41.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.4 1.737 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.3 133.09 36.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 55.0 m -51.54 -41.64 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.12 127.61 54.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.23 10.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.96 29.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.08 120.9 41.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -108.98 122.19 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 40.0 t -60.04 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.6 t80 -93.83 141.59 28.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -120.53 124.99 46.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 108.349 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.03 -65.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -155.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -62.24 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.367 1.042 . . . . 0.0 111.012 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.33 77.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -80.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.58 108.46 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.67 116.65 7.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.635 1.21 . . . . 0.0 108.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.11 -176.81 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.907 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.8 m -83.55 115.75 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' PRO . 1.4 t -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.403 1.064 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CZ ' ' OD2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -85.35 162.22 19.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 20' ' ' ALA . 7.4 tt -55.86 -52.37 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -84.85 46.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.5 mt-10 -142.03 108.98 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.76 155.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.95 6.71 7.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 9' ' ' LEU . 7.6 mt -43.72 116.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.58 42.54 4.67 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.52 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 11.5 pt20 -76.67 144.58 39.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -16.27 21.3 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.16 146.08 35.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.777 . . . . 0.0 111.018 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' HG12 ' A' ' 2' ' ' VAL . 2.0 m -90.53 118.2 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.348 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -31.38 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 3' ' ' ARG . 17.4 m-20 -82.46 117.99 70.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.92 10.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.376 1.724 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.35 25.07 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.18 134.0 55.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -113.2 114.03 26.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.84 89.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -126.69 158.85 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -112.31 128.18 56.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -46.42 80.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -89.67 -154.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -68.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -147.7 72.19 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.04 -78.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 4.5 m-30 -86.72 107.72 18.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.063 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 7' ' ' SER . 82.5 m -126.13 112.23 15.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -145.73 -175.6 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 111.077 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -92.51 119.61 32.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 13.0 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.639 HG21 ' OE1' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -133.92 134.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 1.9 mmp_? -79.22 173.31 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -59.28 -58.6 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -84.04 47.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.56 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 27.4 mt-10 -134.22 106.73 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.66 152.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.86 -4.83 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -41.85 120.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.28 63.8 2.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -95.3 165.34 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.27 -3.19 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -129.49 157.08 77.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 7.5 t -90.22 121.56 32.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 108.238 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.32 -26.48 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 12.4 m-20 -86.99 122.28 71.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -32.69 5.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.4 38.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -117.14 153.73 32.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.81 118.36 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.6 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.345 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.9 t80 -94.54 146.44 24.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 37.8 m -126.04 129.78 49.84 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -76.66 -64.71 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -157.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.6 -63.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -145.91 77.02 1.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.594 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -153.53 -71.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.1 m-85 -87.4 115.68 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' SER . 44.5 m -145.3 112.05 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.65 -179.13 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.765 ' O ' HD13 ' A' ' 4' ' ' LEU . 8.3 m -78.61 113.87 17.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.251 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' NH1' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.3 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.3 t -106.21 139.37 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -74.4 171.94 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -65.22 -47.23 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -86.85 44.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.556 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -141.49 106.89 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -40.75 149.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.55 3.75 10.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 108.202 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -61.28 115.39 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.46 21.4 79.58 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 2.5 pt20 -78.3 165.16 24.19 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.458 0.74 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.89 -3.9 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -116.21 155.33 48.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 167.76 26.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -85.0 133.15 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 57.1 m -53.67 -41.63 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 108.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.09 119.14 71.52 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.72 11.56 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -110.63 158.08 18.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -134.64 115.21 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 85.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.341 1.026 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.0 t80 -93.63 143.42 26.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -125.82 123.34 38.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.319 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.55 -60.78 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -156.19 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.01 -64.48 1.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.23 77.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.17 -40.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -131.53 111.03 11.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.83 113.15 5.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.33 171.83 14.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.97 125.28 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.661 HG12 ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -88.52 132.33 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.383 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 9.0 mmm-85 -83.54 164.06 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 110.339 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.668 HD21 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -51.82 -41.36 61.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 47.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.644 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.509 ' CB ' HG13 ' A' ' 2' ' ' VAL . 20.9 mt-10 -140.28 108.62 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -43.73 154.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.9 -3.42 11.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.283 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.024 HD11 ' O ' ' A' ' 29' ' ' ALA . 31.0 mt -40.0 111.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.35 43.8 14.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.394 1.059 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -74.71 174.16 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 110.304 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.48 -1.58 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.208 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.566 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -123.1 148.94 55.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 172.54 16.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 m -74.77 114.58 13.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.607 1.192 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.17 -28.02 1.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.42 132.8 23.55 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.08 7.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.9 25.95 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.74 159.44 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.68 90.42 2.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 13.6 t -47.12 90.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.6 t80 -104.48 145.45 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -123.2 128.17 49.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 108.216 -179.9 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.16 -166.67 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 -47.1 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.9 73.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.024 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.21 -95.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m-85 -84.48 114.66 22.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -148.0 114.81 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.415 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -146.85 171.26 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.971 -179.904 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.661 ' SG ' HG12 ' A' ' 2' ' ' VAL . 44.5 m -66.02 108.46 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.668 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -134.91 127.84 49.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.5 mmp_? -79.62 174.87 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.807 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -61.79 -49.31 76.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 4.7 p80 -86.8 45.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.53 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' SER . 47.3 mt-10 -138.44 110.58 7.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.3 147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -124.67 4.17 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 136.12 50.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.49 45.71 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.527 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -96.05 167.36 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.435 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.46 -2.87 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.91 153.38 47.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -105.36 116.72 32.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -30.97 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 39.6 m-20 -87.76 122.21 70.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -27.43 10.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.53 30.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.915 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.73 128.13 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.1 p -115.76 129.91 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.87 82.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.6 t80 -99.95 146.89 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -131.62 122.48 26.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.46 -50.22 70.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -160.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.52 75.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.39 -83.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.328 1.018 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 77.6 m-85 -84.5 106.85 16.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -146.27 121.91 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -146.69 -165.18 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.915 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.1 m -93.13 112.14 24.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.807 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 142.08 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.91 164.2 26.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 3.1 tt -60.34 -54.03 50.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.38 46.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.669 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' SER . 46.0 mt-10 -139.32 108.43 6.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.4 153.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.65 -0.46 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -39.12 110.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.12 61.75 5.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.525 HE22 HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -95.18 141.95 28.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -95.6 -18.81 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.627 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -114.39 152.57 46.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.627 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -94.64 124.28 38.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 108.222 -179.92 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -33.69 62.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.44 123.66 78.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.32 7.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.02 33.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -117.17 134.86 54.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -120.99 119.36 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 110.346 -179.884 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 48.6 t -59.31 83.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.352 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 t80 -94.23 141.37 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.22 123.46 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 108.3 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.58 -43.05 95.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.54 -164.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -52.01 9.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -148.48 75.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.84 -48.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.2 m-85 -132.86 114.7 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -149.6 112.45 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.78 -175.58 4.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 111.097 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.4 m -89.16 117.46 28.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 8.6 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -133.22 145.2 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.38 165.88 24.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.219 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -63.22 -54.2 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -84.74 46.04 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' SER . 25.0 mt-10 -138.96 108.3 6.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.58 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.953 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -127.13 6.22 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 29' ' ' ALA . 13.4 mt -38.94 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 63.77 51.08 56.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' CYS . 8.5 pt20 -89.11 132.54 34.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -95.75 -10.95 27.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.9 156.17 43.05 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.619 1.852 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.32 131.58 41.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 73.0 m -51.06 -43.84 61.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.9 122.16 72.89 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.335 1.022 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.04 11.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.21 29.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -106.91 146.69 30.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -122.64 101.83 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -63.74 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.1 t80 -100.21 150.89 22.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -120.69 124.64 45.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -65.85 -65.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.45 -155.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.94 -63.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.06 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -146.45 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.003 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.56 -71.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -95.1 107.81 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.97 113.8 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -146.54 174.16 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.628 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -78.9 117.87 20.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 33' ' ' CYS . 41.2 t -134.08 120.04 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.61 162.85 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.38 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.82 HD21 ' NH1' ' A' ' 34' ' ' ARG . 7.4 tp -48.55 -36.86 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.57 46.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 109.539 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' CB ' HG13 ' A' ' 2' ' ' VAL . 30.5 mt-10 -143.75 109.92 5.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -47.94 157.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.67 -3.09 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 27.6 mt -39.58 113.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.79 44.32 8.56 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.397 1.06 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -76.78 172.23 13.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 0.798 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -133.76 -2.72 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.54 153.36 50.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.04 116.49 17.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 108.244 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -55.71 -42.28 75.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.349 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.901 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -56.36 160.01 5.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.93 45.62 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -80.56 159.72 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.83 104.49 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.71 88.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.267 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.1 t80 -99.19 145.29 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.54 127.64 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.918 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.5 -40.98 96.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -166.08 1.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -79.73 -48.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -145.92 74.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.48 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.1 m-85 -84.68 113.1 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -148.25 115.09 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.254 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.33 172.93 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 2' ' ' VAL . 57.0 m -70.29 116.61 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.261 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.82 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.4 129.15 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 175.01 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -62.94 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.389 1.056 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.55 45.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 7' ' ' SER . 53.6 mt-10 -136.98 110.98 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -31.73 145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 2.9 t -121.68 0.28 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -64.94 117.61 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.5 87.4 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.569 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 3.8 pt20 -75.07 130.03 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.62 -4.37 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -124.21 155.7 67.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.394 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.07 169.45 22.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -91.37 118.3 30.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -32.05 12.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.01 120.14 68.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 3.43 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -89.79 129.32 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' TYR . 14.1 p -112.35 129.16 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.06 81.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 t80 -96.12 144.69 26.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.43 122.1 25.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.369 1.043 . . . . 0.0 108.253 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.561 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.86 -51.06 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.16 -157.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.42 -61.42 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -146.97 76.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.382 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -78.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 15.7 m-85 -89.59 103.6 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 5.6 t -146.31 124.93 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.229 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.87 -167.51 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.933 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.3 m -94.22 97.48 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 108.366 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.452 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -134.53 144.28 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.378 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -84.22 174.23 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -60.53 -53.11 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -84.91 45.69 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.375 1.047 . . . . 0.0 109.624 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.702 ' HB3' HG22 ' A' ' 2' ' ' VAL . 30.0 mt-10 -135.57 110.19 8.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.58 145.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.06 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.617 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.5 t -126.99 4.11 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.344 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.2 114.46 3.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.22 33.44 87.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.617 ' NE2' ' SG ' ' A' ' 8' ' ' CYS . 1.4 pt20 -78.33 131.54 37.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -12.0 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.74 155.55 40.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.207 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.97 170.91 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG12 ' A' ' 2' ' ' VAL . 6.3 t -97.69 119.29 36.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -33.59 63.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 108.362 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.9 m-20 -76.03 120.71 82.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.23 8.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.61 30.65 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.11 149.4 30.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -138.46 130.36 28.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 110.469 179.953 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 t -62.07 80.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -98.15 142.76 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.627 1.205 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -128.35 125.73 39.28 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.96 -45.85 84.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.7 -158.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.79 -57.76 3.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -147.4 76.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.54 -86.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.9 m-85 -84.25 109.91 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.37 124.61 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.09 -167.54 2.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 9.8 m -92.9 95.24 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.448 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 17.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -135.33 150.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.448 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.4 168.2 14.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -63.66 -48.3 77.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -87.68 43.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.565 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.0 mt-10 -138.5 106.49 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -36.71 146.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.92 -4.66 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 108.25 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -48.64 113.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.11 68.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 5.6 tp60 -78.05 151.44 33.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.544 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.3 tt0 -127.48 -8.54 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.79 160.02 29.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.05 160.9 39.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.51 126.78 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -26.14 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 18.8 m-20 -67.26 145.32 98.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -83.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.375 1.724 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.35 52.61 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -86.02 158.4 19.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.16 103.15 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.67 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 108.355 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -95.47 144.27 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -125.45 124.57 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -64.74 -59.32 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.81 -156.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -77.23 -63.32 1.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.25 76.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -40.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.05 108.59 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -148.11 114.84 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -144.83 173.45 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.09 132.27 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.54 HH11 HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.12 167.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.912 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.502 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -85.3 167.47 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -66.47 -60.2 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.38 49.85 1.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 13.0 mt-10 -142.0 112.63 7.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -40.46 155.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.24 5.95 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 29' ' ' ALA . 26.8 mt -43.12 96.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 74.83 44.17 25.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.6 pt20 -86.81 140.98 29.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -96.52 -19.06 19.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.234 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.71 150.79 42.27 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -174.26 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.407 1.741 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.51 130.93 35.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.131 . . . . 0.0 108.375 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -51.94 -39.99 60.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.58 136.06 27.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.13 12.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.3 7.18 20.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.18 153.6 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -139.27 92.45 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.398 -179.918 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 33.0 t -57.65 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -126.46 158.67 35.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -113.66 129.19 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.303 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.618 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.366 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.618 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.3 t80 -88.5 -155.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -67.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -147.43 73.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.983 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -147.82 -83.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.6 m-85 -83.96 108.49 16.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 0.8 OUTLIER -136.61 118.44 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -145.28 176.48 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 111.065 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 2' ' ' VAL . 38.9 m -75.15 101.76 4.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 6.6 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.588 HG21 ' OE1' ' A' ' 11' ' ' GLN . 1.1 t -105.91 159.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.8 mmp_? -79.57 170.77 16.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' A' ' 34' ' ' ARG . 1.2 tt -66.42 -60.21 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 48.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 20.9 mt-10 -136.87 107.08 6.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.08 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -123.62 1.07 8.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 108.224 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 63.7 mt -37.91 105.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.04 56.91 13.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.588 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -95.26 172.22 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -132.94 -2.63 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -128.47 156.47 77.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.595 1.184 . . . . 0.0 109.371 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.03 -175.97 2.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 17' ' ' ASP . 84.6 m -85.33 121.12 27.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 108.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.34 -28.6 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -91.24 135.52 28.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.95 6.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.35 29.76 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -110.4 146.19 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.19 109.35 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.954 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.4 t -57.81 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.301 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -101.15 145.24 29.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.56 123.56 39.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.1 tpp180 -63.36 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.53 -151.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.95 -62.55 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.62 30.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.55 -39.71 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.85 112.38 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -149.04 113.59 5.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 108.372 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.86 174.91 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LEU . 31.7 m -76.02 129.91 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' NH1' HD21 ' A' ' 4' ' ' LEU . 14.6 tpt85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.95 141.39 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -79.98 177.76 8.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 33' ' ' CYS . 1.2 tm? -64.84 -55.62 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -89.43 47.52 1.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 21.9 mt-10 -130.56 106.58 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.16 152.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -120.64 0.51 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -38.7 118.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 36.54 65.57 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.508 HE22 HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.99 176.37 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.786 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.75 -2.8 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.727 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -126.28 151.66 72.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.95 -175.43 2.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.99 120.26 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.64 1.212 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -50.27 -31.12 13.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.371 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.3 m-20 -81.47 127.06 74.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.81 5.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.417 1.746 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.17 31.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -108.05 111.84 24.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 8.5 p -103.75 119.59 39.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.82 81.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.8 t80 -93.92 141.96 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -123.91 121.03 34.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.558 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.44 -52.37 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -159.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.79 -61.39 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.185 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -146.22 76.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.66 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.49 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.9 m-85 -95.26 108.18 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.36 116.35 6.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 108.257 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.65 -176.28 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.929 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 19.7 m -79.34 131.39 36.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.413 HG21 ' OE1' ' A' ' 11' ' ' GLN . 2.4 t -135.1 137.26 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 10.2 mmm-85 -83.34 173.57 11.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -57.68 -58.55 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.72 47.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 0.0 109.543 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.2 mt-10 -136.69 105.63 5.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.11 153.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.34 6.88 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.0 mt -42.55 119.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.209 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.39 43.76 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 11.5 pt20 -76.1 135.98 39.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 0.79 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -95.59 -11.53 27.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.29 152.33 45.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.65 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -98.62 121.46 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.221 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -51.95 -27.18 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.5 m-20 -89.25 116.59 66.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.36 34.2 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -106.03 156.33 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.625 HG23 ' HB3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.43 103.79 6.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.24 81.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 t80 -94.09 145.11 24.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -123.44 121.26 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.62 -66.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -156.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.09 -62.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -145.87 77.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.232 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.65 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.61 -77.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 m-30 -86.92 105.04 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.6 t -146.49 116.01 7.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -146.35 178.03 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.914 ' O ' HD13 ' A' ' 4' ' ' LEU . 1.3 m -82.25 121.12 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 108.337 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.625 ' HB3' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.13 126.68 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 109.4 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 16.8 mmm-85 -79.36 175.53 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.826 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -59.1 -52.86 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 28.4 t-80 -86.11 45.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.637 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 7' ' ' SER . 33.9 mt-10 -135.86 111.39 9.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -32.73 146.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.904 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -122.07 4.97 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.32 136.42 44.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.4 28.66 14.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -77.16 158.86 30.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.58 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 mt-30 -127.9 -20.15 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -102.37 156.15 35.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.908 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 163.1 35.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 8.7 t -85.08 116.67 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.336 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -29.99 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.98 119.7 65.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -26.92 10.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.79 9.1 15.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.909 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -96.7 129.75 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' TYR . 22.8 p -113.27 130.73 56.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.458 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.42 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.7 t80 -99.93 144.74 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.11 124.62 26.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.387 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -63.41 -61.66 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.179 -179.906 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.37 -156.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -77.02 -64.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.65 76.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.96 -39.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.3 m-85 -130.88 107.22 8.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -147.39 121.07 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.89 -166.13 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.909 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 7.6 m -93.19 95.75 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.826 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.6 p . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.554 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -104.98 166.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.14 168.36 14.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -65.16 -56.37 13.25 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.62 ' CD2' HD23 ' A' ' 4' ' ' LEU . 61.5 m170 -84.75 46.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 109.683 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 18.4 mt-10 -139.97 111.51 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.01 151.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -134.86 10.24 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 126.66 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.38 40.32 53.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 6.9 tt0 -96.75 154.95 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -27.93 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -96.9 145.64 29.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.94 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.463 1.77 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -95.46 131.15 41.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 29.4 m -54.84 -40.79 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 108.262 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -90.82 114.95 63.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -25.22 12.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.89 13.06 7.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.373 1.045 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -85.16 178.15 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -137.79 86.81 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.5 t -65.76 75.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -117.39 156.6 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -114.31 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.84 -46.33 82.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.614 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -88.29 -155.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.195 . . . . 0.0 110.987 -179.942 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -77.77 -67.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -146.32 75.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.11 -83.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-30 -84.67 100.93 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.8 t -131.4 115.29 16.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -144.49 177.32 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -82.76 123.53 29.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' C ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 tpt85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.5 t -134.23 138.23 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.44 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.1 mmp_? -81.85 173.21 12.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.925 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -64.48 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -86.6 45.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -138.07 105.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.199 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.98 149.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.0 -1.08 10.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 108.355 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.1 pp -55.85 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.28 20.23 33.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.83 158.3 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.357 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.89 -20.32 3.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.38 155.38 36.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.44 31.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.32 124.59 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 108.226 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -28.96 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.928 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 16.8 m-20 -85.22 120.24 73.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 -31.38 6.49 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.54 35.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -112.37 147.47 36.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -132.79 110.22 10.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -57.72 85.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 108.247 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.9 t80 -93.55 140.87 29.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -124.37 126.62 46.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -74.74 -63.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.98 -155.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -63.24 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -145.81 77.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.56 -71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.11 101.69 13.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' SER . 6.3 t -145.93 114.18 6.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 108.292 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 178.11 8.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -81.14 116.2 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.32 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 179.965 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.624 HG12 ' SG ' ' A' ' 33' ' ' CYS . 16.8 t -105.09 134.47 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.522 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -85.71 158.58 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -46.78 -39.71 12.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.68 46.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.615 ' CB ' HG13 ' A' ' 2' ' ' VAL . 58.8 mt-10 -144.51 108.27 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -44.61 155.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.936 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.511 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.29 -4.05 11.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' CYS . 19.7 mt -39.27 112.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.07 52.34 10.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.409 1.068 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -89.88 171.35 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -133.74 -2.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.577 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.25 147.15 37.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.05 27.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -72.01 114.39 10.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.397 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.89 -28.84 58.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.639 1.212 . . . . 0.0 108.334 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -66.61 158.71 78.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 -84.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.34 48.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -96.4 153.73 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -143.77 126.34 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 35.0 t -59.03 88.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.9 t80 -93.76 137.58 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -127.04 122.55 34.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 108.325 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.67 -28.41 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.13 -166.28 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.39 -50.42 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -147.64 75.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.66 -52.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 10.0 m-85 -133.53 114.27 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.1 t -148.81 114.54 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.05 178.47 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG12 ' A' ' 2' ' ' VAL . 35.2 m -75.64 137.11 40.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.449 1.093 . . . . 0.0 108.366 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.638 HG21 ' OE1' ' A' ' 11' ' ' GLN . 7.2 t -135.34 116.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.536 HH21 ' N ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -80.3 166.9 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -53.33 -38.23 63.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.38 45.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.612 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.0 mt-10 -139.97 110.9 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.45 157.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.379 1.049 . . . . 0.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 3.8 t -128.13 5.35 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.62 HD22 ' OD1' ' A' ' 28' ' ' ASN . 50.0 mt -40.45 114.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.22 51.37 0.92 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.638 ' OE1' HG21 ' A' ' 2' ' ' VAL . 7.5 pt20 -74.87 164.71 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.66 -2.97 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.04 156.63 40.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.13 168.48 24.66 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.571 1.827 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.4 m -98.7 126.13 44.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.59 -41.17 69.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 108.335 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.536 ' N ' HH21 ' A' ' 3' ' ' ARG . 12.9 m-20 -79.77 124.47 83.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.72 7.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.82 30.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -115.86 123.43 48.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' TYR . 17.4 p -111.98 126.65 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.31 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.6 t80 -109.37 146.99 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -127.07 -149.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.3 tpp180 -163.62 -64.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -155.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.7 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.62 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.6 t-20 -148.13 77.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 -75.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.5 m-85 -84.06 93.31 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -148.32 112.1 5.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.79 -163.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -98.25 119.47 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' C ' ' CZ ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.531 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -99.36 149.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -85.32 167.17 15.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.373 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -57.08 -53.16 61.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.6 1.187 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -84.28 46.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.15 103.75 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -41.31 148.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.948 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.83 3.24 12.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.357 1.035 . . . . 0.0 108.302 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 29' ' ' ALA . 2.1 pp -61.44 101.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.4 28.74 26.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.497 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.08 170.23 9.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.606 0.827 . . . . 0.0 110.27 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -2.63 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -113.06 148.42 39.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.401 179.944 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.561 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 71.8 m -82.61 113.88 20.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.234 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -49.62 -26.35 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 7.9 m-20 -92.83 140.33 23.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -33.97 4.27 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.71 38.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -123.71 136.51 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -129.34 115.39 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.455 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 43.5 t -53.95 88.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 t80 -101.08 141.4 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -122.34 -152.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.353 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.1 tpp180 -162.51 -63.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.51 -154.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -64.31 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.22 78.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -156.07 -76.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.7 m-85 -84.04 95.86 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -149.62 111.78 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.45 177.83 8.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 2' ' ' VAL . 10.1 m -83.35 106.26 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.42 HG21 ' CD ' ' A' ' 11' ' ' GLN . 1.4 t -134.29 147.83 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.434 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 5.9 mmm-85 -80.04 168.12 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 8.8 tt -60.93 -53.35 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 26.1 t-80 -84.4 46.37 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.537 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -141.56 107.96 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.46 156.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -130.01 8.39 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 108.36 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 29' ' ' ALA . 10.3 mt -38.71 115.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.63 64.42 1.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.66 179.34 5.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 0.811 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -132.62 -3.0 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.6 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -127.14 152.7 76.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.66 121.32 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -26.77 8.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -94.55 115.05 64.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.21 9.78 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -100.96 159.54 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -137.12 109.01 7.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -65.92 91.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -124.67 155.89 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -108.82 127.5 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -70.06 -47.57 61.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -90.35 -156.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -67.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.1 73.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.988 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -148.56 -85.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -84.42 121.79 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 2.0 t -144.74 114.7 7.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.616 1.197 . . . . 0.0 108.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.2 -179.66 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.901 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -86.63 118.85 26.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 11.9 tpt85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.407 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -134.56 136.57 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.65 170.93 14.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.231 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.866 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -65.28 -49.59 68.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.09 45.62 1.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' SER . 52.0 mt-10 -138.17 106.08 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.61 148.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.889 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.408 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.61 2.82 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -58.17 115.72 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.14 30.29 77.03 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.493 1.12 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 2.9 pt20 -74.93 173.55 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.759 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.86 -2.92 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.691 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.94 152.72 70.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.691 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.0 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.98 116.2 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.366 1.042 . . . . 0.0 108.275 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.4 -31.72 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.331 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 -83.53 114.66 54.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.68 9.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.432 1.754 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.28 29.74 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -101.16 156.78 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -133.51 98.06 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.15 84.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.8 t80 -98.35 147.85 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -120.04 126.55 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 108.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.5 tpp180 -69.06 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -154.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.213 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -76.82 -63.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -146.96 78.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -155.79 -72.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -92.84 106.69 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.96 114.69 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.23 173.34 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -76.97 126.3 30.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.866 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 28.6 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.486 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.0 t -143.9 148.14 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.9 mmp_? -85.51 169.23 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -57.64 -53.64 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 45.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.533 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.3 mt-10 -138.32 111.18 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.0 141.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.1 t -126.16 5.13 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -56.84 131.0 48.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.07 56.45 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.26 144.07 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.39 -5.34 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.89 152.59 70.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -74.98 -174.09 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -103.63 124.16 48.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.269 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.36 -27.15 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' CB ' HD12 ' A' ' 4' ' ' LEU . 20.6 m-20 -91.2 113.25 57.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.81 12.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 23.04 2.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -109.8 163.78 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -136.99 119.17 15.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -71.77 84.17 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -110.97 152.01 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -123.71 125.77 45.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.54 -65.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -156.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.19 -63.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -146.56 76.51 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.59 -79.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -84.33 107.01 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.1 t -146.03 120.45 9.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.09 -165.11 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -101.73 105.07 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 108.354 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.448 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 26.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -133.81 134.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.15 38.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.206 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -50.93 -38.13 48.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.35 44.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' SER . 88.4 mt-10 -145.46 110.12 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.16 154.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -123.37 5.71 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 108.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 29' ' ' ALA . 9.0 mt -41.91 115.83 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.18 50.11 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.625 1.203 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.3 pm0 -81.36 143.53 32.12 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 0.798 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.56 -13.35 23.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.74 151.7 42.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.94 170.5 20.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.8 127.63 35.01 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' VAL . 62.1 m -47.2 -50.1 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -83.31 118.46 71.64 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -25.68 11.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.13 28.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -96.75 170.2 9.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.44 99.6 3.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.0 t -60.58 84.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 108.267 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.1 t80 -97.32 146.66 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.365 1.041 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -119.15 125.9 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.354 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.61 -66.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -155.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.2 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.57 77.41 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.695 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -80.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.79 108.89 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.84 114.57 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 174.93 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -76.82 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.444 HH11 HD21 ' A' ' 4' ' ' LEU . 5.1 tpt85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.49 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.637 HG23 ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -107.18 142.71 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.12 160.45 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' A' ' 20' ' ' ALA . 1.1 tp -49.61 -48.74 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.96 45.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.508 ' CB ' HG13 ' A' ' 2' ' ' VAL . 15.0 mt-10 -145.97 112.17 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.97 154.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 18.7 t -126.46 9.04 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.637 1.21 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' GLY . 5.6 mt -39.91 117.43 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.72 62.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.637 ' NE2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.62 139.46 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.72 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -95.75 -5.35 42.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.769 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -112.05 152.72 44.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.769 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.04 -177.56 3.56 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.56 1.821 . . . . 0.0 110.992 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.31 123.9 31.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 108.222 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.68 -25.5 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 108.377 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -104.92 137.63 19.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.29 11.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.454 1.765 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.03 28.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -132.93 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -142.11 145.42 34.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.23 82.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.268 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.6 t80 -110.68 144.46 39.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.24 126.75 41.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.32 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -63.98 -60.57 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.31 -157.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -147.35 76.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.89 -39.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 25.6 m-85 -130.75 109.5 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -147.44 119.32 8.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.41 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.2 -163.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.0 m -92.19 79.9 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.51 HG23 ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -135.27 132.55 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 163.66 22.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.422 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.17 47.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 42.0 mt-10 -139.03 113.6 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -35.14 150.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 t -124.4 2.07 8.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -48.26 124.61 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.27 63.02 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.618 1.199 . . . . 0.0 111.048 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.51 ' NE2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.7 136.12 36.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 0.795 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -95.51 -15.9 22.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.648 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -106.6 155.89 38.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.08 178.68 6.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.1 m -101.3 124.86 47.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.388 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -28.07 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.66 116.89 67.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.65 28.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -114.44 159.72 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.62 132.78 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.01 83.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 t80 -103.47 145.27 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.83 125.96 42.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.19 . . . . 0.0 108.244 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -65.72 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.31 -156.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -77.26 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.04 76.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.43 -79.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.3 m-85 -85.66 110.31 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.46 119.9 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.407 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -145.32 -163.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.03 100.16 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 4.7 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.1 t -105.26 136.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -73.88 165.46 25.09 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.474 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -56.92 -53.25 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.16 45.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.4 mt-10 -139.39 109.31 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.33 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.48 1.3 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -43.19 115.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.42 55.53 3.09 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -83.01 151.51 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.381 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.32 -31.51 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -107.65 155.88 38.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.2 Cg_endo -75.06 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.92 131.64 36.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.651 1.219 . . . . 0.0 108.243 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 85.7 m -51.17 -44.9 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 4' ' ' LEU . 6.6 m-20 -88.42 116.45 66.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.45 12.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.77 25.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -98.34 165.17 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -131.79 99.03 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.96 85.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 108.235 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -100.83 148.48 24.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -119.36 126.61 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -67.61 -66.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.98 -156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -76.84 -62.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -146.39 77.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.6 -78.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -86.72 108.69 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -146.71 114.6 6.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.337 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.33 174.94 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -78.7 128.68 33.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.458 HG23 ' NE2' ' A' ' 11' ' ' GLN . 1.4 t -136.0 143.77 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 2.6 mmp_? -86.66 169.96 12.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.93 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -56.35 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -84.99 47.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.583 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.8 mt-10 -135.26 111.33 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.09 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.21 2.88 8.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLY . 1.4 mt -44.82 124.7 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 33.36 62.62 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' NE2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.15 137.72 33.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 0.753 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -15.22 23.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.692 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.96 151.95 42.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.378 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.424 1.75 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 3.5 t -98.38 125.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.245 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.55 -26.51 32.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.244 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' OD2' ' NH2' ' A' ' 3' ' ' ARG . 5.0 m-20 -89.27 128.83 49.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.61 8.02 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.55 28.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -107.94 129.71 55.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.9 p -122.22 127.82 50.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.85 83.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.0 t80 -99.91 145.89 27.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -129.85 124.15 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -64.57 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -156.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.98 -62.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -146.39 76.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -79.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.2 m-85 -84.56 107.95 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.87 122.23 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.33 -164.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.93 ' O ' HD13 ' A' ' 4' ' ' LEU . 3.3 m -93.41 106.99 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 6' ' ' GLU . 37.2 t -105.03 132.06 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -79.2 160.94 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.748 HD23 HH12 ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.67 -41.6 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.57 48.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.38 1.05 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.746 ' HB3' HG13 ' A' ' 2' ' ' VAL . 10.7 mt-10 -145.44 115.72 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -40.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.6 t -126.37 3.97 6.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD11 ' O ' ' A' ' 29' ' ' ALA . 63.1 mt -47.77 106.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.01 45.08 95.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -74.92 130.78 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.244 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.94 -13.44 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.57 157.59 43.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.92 168.6 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 72.2 m -73.84 134.07 43.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.256 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 16.3 m -55.81 -39.63 71.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.38 142.74 26.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.67 10.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.99 27.79 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.59 140.7 49.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -140.37 137.9 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.81 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.172 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.5 t80 -107.47 143.72 35.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -126.98 126.76 43.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.17 . . . . 0.0 108.365 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -66.53 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.13 -156.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -63.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -146.32 77.02 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.677 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.51 -79.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.9 m-85 -84.86 109.62 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.86 120.7 9.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.218 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.69 -164.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.628 1.205 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 22.9 m -86.95 100.44 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.748 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.424 ' N ' HG11 ' A' ' 13' ' ' VAL . 4.5 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -136.01 148.89 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.587 1.179 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.7 mmp_? -77.66 161.06 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD12 ' OD2' ' A' ' 17' ' ' ASP . 2.0 tt -60.53 -43.44 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.356 1.035 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -92.25 46.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.535 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 78.6 mt-10 -142.61 109.11 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -42.08 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.06 8.51 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.2 mt -45.07 107.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.404 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.52 46.02 94.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 3.0 pt20 -85.57 173.83 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -133.14 -2.96 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.28 150.82 45.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 -178.25 4.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.2 m -82.65 113.34 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 108.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -36.47 68.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.788 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -60.81 164.65 7.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -83.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.32 46.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.788 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -98.1 145.05 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -142.91 126.67 17.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.459 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.38 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 108.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.3 t80 -94.2 142.61 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.367 1.042 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -122.22 124.39 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.53 -66.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.75 -156.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -77.19 -63.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.33 77.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -72.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -92.32 107.37 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -147.08 115.57 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.61 176.02 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 m -72.01 126.0 28.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 108.334 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' C ' ' HA ' ' A' ' 20' ' ' ALA . 38.9 tpt85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 29.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.478 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -137.12 143.31 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 168.83 19.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.413 1.071 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.86 -55.94 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.94 45.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.561 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 19.9 mt-10 -136.66 107.08 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.63 1.206 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -37.57 153.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.28 -0.54 11.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.597 1.186 . . . . 0.0 108.267 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 29' ' ' ALA . 11.7 mt -37.57 116.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.55 64.2 2.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.179 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.04 171.04 8.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -132.68 -2.92 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.757 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.29 154.37 81.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 179.94 5.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.78 124.94 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.28 -27.48 46.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.5 124.48 60.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.37 9.15 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.531 1.806 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.82 30.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -119.52 137.0 54.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -126.21 124.8 41.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.37 80.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' THR . 19.4 t80 -94.24 141.68 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -124.79 130.75 52.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.15 -36.94 77.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.04 -165.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -47.21 15.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -146.19 74.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.739 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.57 -94.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.582 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.7 m-85 -84.6 117.35 23.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -148.63 113.31 5.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.791 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.6 m -88.25 118.23 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 108.351 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 132.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.317 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 174.28 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -62.04 -52.36 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -86.27 46.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.523 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -135.29 110.73 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -125.63 3.3 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 1.3 pp -64.11 107.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.53 62.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -76.35 130.97 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.251 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -16.98 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.36 155.48 41.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.99 175.41 11.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.3 t -94.59 122.53 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -36.23 66.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.14 121.21 78.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.18 4.5 30.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -92.61 146.44 23.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -134.83 127.71 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.92 82.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 108.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.5 t80 -103.55 143.03 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -131.13 124.0 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 108.23 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.2 tpp180 -65.31 -56.56 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -156.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.36 -65.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -146.74 76.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.03 -39.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 m-85 -131.31 103.27 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.8 t -147.73 119.26 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -146.84 -163.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m -95.92 100.67 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.584 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.431 HG21 HE21 ' A' ' 11' ' ' GLN . 1.4 t -135.02 130.46 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -85.81 173.63 9.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.98 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -84.84 45.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.652 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 87.1 mt-10 -139.13 108.4 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -35.36 145.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -120.37 5.41 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 133.99 47.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.202 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.47 32.46 10.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -75.09 166.13 24.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -132.75 -2.77 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.693 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.76 155.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.693 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 4.5 t -90.18 117.08 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -29.93 20.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -88.11 116.45 66.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.372 1.045 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.78 9.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.64 6.42 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.391 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.86 165.35 16.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.18 112.03 5.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.467 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.95 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.4 t80 -111.36 147.03 36.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.6 128.3 46.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.572 1.17 . . . . 0.0 108.334 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -64.37 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -154.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.13 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -146.91 29.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.04 -84.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -84.48 114.9 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.93 118.13 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -147.66 -165.51 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.571 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.7 m -99.11 112.14 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.158 . . . . 0.0 108.237 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.451 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -105.58 137.6 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.451 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -86.49 157.64 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.668 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -54.84 -41.86 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.98 44.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' SER . 36.3 mt-10 -145.72 111.89 5.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.647 1.217 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.23 154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -122.16 0.58 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 108.371 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.915 HD11 ' O ' ' A' ' 29' ' ' ALA . 39.0 mt -37.14 111.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.64 49.18 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.6 pm0 -74.73 143.83 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -14.42 23.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 110.202 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.44 152.09 41.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.6 Cg_endo -74.88 168.76 24.1 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.58 115.32 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -26.5 12.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.791 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 54.9 m-20 -67.44 142.96 96.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -83.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.96 52.67 2.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 109.385 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -79.94 162.14 25.11 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.5 96.31 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.86 86.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 25.6 t80 -96.94 145.69 25.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.1 m -120.93 125.11 46.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.7 tpp180 -65.61 -66.42 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -156.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -77.24 -62.83 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.12 77.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.915 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.39 -70.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.19 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -95.13 110.4 22.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -147.22 115.1 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.348 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -142.69 173.44 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.1 m -74.46 129.74 38.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.328 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.568 HH11 HD21 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 7.2 p . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.8 t -106.08 146.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 22.1 mmm-85 -85.95 173.83 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.93 HD21 ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -65.02 -47.58 76.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 45.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' SER . 20.1 mt-10 -146.38 108.37 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.41 153.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.89 3.04 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 108.316 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 29' ' ' ALA . 3.3 mt -37.51 119.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.78 50.99 18.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 2.0 tt0 -94.23 130.1 40.6 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.433 0.725 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -24.11 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.802 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -94.88 156.55 37.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.802 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.52 136.56 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' VAL . 46.3 m -51.07 -39.25 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 108.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -97.7 117.89 64.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -24.02 13.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.1 23.77 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -103.17 165.26 11.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.76 104.87 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.437 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.26 84.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.248 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.0 t80 -98.73 147.78 24.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 111.014 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -119.21 127.16 53.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.93 -66.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -156.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -77.07 -62.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -146.25 77.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.55 -79.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.188 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -84.67 108.54 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.8 114.89 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.356 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.91 172.8 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.77 125.7 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.221 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.93 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -139.16 148.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -86.71 175.13 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.798 HD23 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -63.37 -55.85 21.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -85.58 45.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.526 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' SER . 48.3 mt-10 -134.03 107.76 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.26 143.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.5 t -123.72 8.93 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -68.59 128.97 38.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.87 44.48 81.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.08 169.22 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.737 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.9 -1.82 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.699 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.13 155.28 68.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.699 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -174.22 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.437 1.756 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 1.1 t -103.97 121.52 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 108.395 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -29.99 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 5.1 m-20 -82.59 127.96 68.4 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -29.44 8.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.69 32.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.56 134.36 55.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -124.8 116.2 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.452 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.61 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 108.333 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.4 t80 -109.53 147.47 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.98 133.46 50.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.327 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -65.6 -39.57 91.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.67 -165.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -78.93 -48.17 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.81 75.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.15 113.76 21.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 4.7 t -146.91 117.99 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 108.364 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -147.26 -164.82 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.924 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.1 m -97.44 107.01 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.798 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.499 HG13 ' CB ' ' A' ' 6' ' ' GLU . 2.5 t -136.72 139.09 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 165.84 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.76 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -53.7 -48.4 69.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -88.94 45.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.555 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.2 mt-10 -143.05 113.21 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.76 150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.106 . . . . 0.0 110.048 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.3 t -129.5 8.92 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 108.254 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 131.71 37.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.43 16.15 66.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.23 127.72 41.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 0.0 110.366 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -3.74 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -100.79 156.41 35.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.659 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.39 1.731 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -105.94 122.86 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -26.35 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 112.47 60.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.32 10.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.06 30.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -103.95 175.03 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.35 92.84 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 7.8 t -63.67 79.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 24' ' ' CYS . 15.8 t80 -130.43 158.26 40.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -114.29 135.36 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.401 1.063 . . . . 0.0 108.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.605 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -47.65 76.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.372 1.045 . . . . 0.0 110.301 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.605 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.8 t80 -87.93 -155.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.63 -67.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.94 75.31 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.12 -84.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 3.4 m-85 -84.28 97.8 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.7 t -126.96 117.55 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -146.15 -168.12 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -95.93 112.29 24.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.76 ' NH1' HD21 ' A' ' 4' ' ' LEU . 5.2 tpt85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.847 HG21 ' NE2' ' A' ' 11' ' ' GLN . 53.7 t -133.67 118.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.421 HH21 ' N ' ' A' ' 17' ' ' ASP . 1.2 mmp_? -80.57 162.15 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.698 HD21 HH12 ' A' ' 34' ' ' ARG . 2.0 tp -46.65 -35.88 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 45.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.57 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.3 mt-10 -145.38 109.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -46.69 152.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.0 t -115.44 -0.32 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -46.55 121.99 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.54 45.01 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.847 ' NE2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -74.71 176.16 7.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 0.797 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -132.7 -2.61 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.443 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -123.97 152.92 67.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -176.15 2.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 m -92.74 115.54 28.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -52.56 13.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.421 ' N ' HH21 ' A' ' 3' ' ' ARG . 0.7 OUTLIER -73.81 134.11 78.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.59 5.89 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.82 144.78 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -145.41 156.17 43.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 t -60.42 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.8 t80 -102.34 150.51 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 45.7 m -130.17 133.83 46.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 108.328 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -75.85 -65.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.86 -155.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -77.07 -63.46 1.36 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.26 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -70.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -86.83 115.85 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 67.9 m -146.43 114.11 6.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.75 -166.05 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 2' ' ' VAL . 13.8 m -85.47 81.99 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.319 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.698 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG2' ' OE1' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -106.2 146.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.42 171.98 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -63.91 -53.36 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.75 46.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.64 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -139.44 108.11 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -39.11 155.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -122.35 1.12 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 108.343 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 mt -36.93 127.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.37 50.83 4.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.508 ' OE1' ' CG2' ' A' ' 2' ' ' VAL . 9.0 tt0 -89.93 158.44 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.757 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 36.9 tt0 -133.09 -4.59 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -112.11 156.59 41.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.4 1.737 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.3 133.09 36.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 55.0 m -51.54 -41.64 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.12 127.61 54.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.23 10.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.96 29.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.08 120.9 41.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -108.98 122.19 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 40.0 t -60.04 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.6 t80 -93.83 141.59 28.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -120.53 124.99 46.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 108.349 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.03 -65.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -155.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -62.24 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.367 1.042 . . . . 0.0 111.012 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.33 77.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -80.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.58 108.46 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.67 116.65 7.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.635 1.21 . . . . 0.0 108.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.11 -176.81 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.907 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.8 m -83.55 115.75 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.558 HG21 HE21 ' A' ' 11' ' ' GLN . 1.4 t -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.403 1.064 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CZ ' ' OD2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -85.35 162.22 19.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 20' ' ' ALA . 7.4 tt -55.86 -52.37 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -84.85 46.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.5 mt-10 -142.03 108.98 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.76 155.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.95 6.71 7.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 9' ' ' LEU . 7.6 mt -43.72 116.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.58 42.54 4.67 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.558 HE21 HG21 ' A' ' 2' ' ' VAL . 2.9 pt20 -76.67 144.58 39.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -16.27 21.3 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.16 146.08 35.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.777 . . . . 0.0 111.018 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' HG12 ' A' ' 2' ' ' VAL . 2.0 m -90.53 118.2 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.348 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -31.38 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 3' ' ' ARG . 17.4 m-20 -82.46 117.99 70.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.92 10.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.376 1.724 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.35 25.07 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.18 134.0 55.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -113.2 114.03 26.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.84 89.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -126.69 158.85 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -112.31 128.18 56.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -46.42 80.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -89.67 -154.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -68.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -147.7 72.19 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.04 -78.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 4.5 m-30 -86.72 107.72 18.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.063 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 7' ' ' SER . 82.5 m -126.13 112.23 15.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -145.73 -175.6 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 111.077 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -92.51 119.61 32.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 13.0 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.639 HG21 ' OE1' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -133.92 134.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.462 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 1.9 mmp_? -79.22 173.31 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -59.28 -58.6 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -84.04 47.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.56 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 27.4 mt-10 -134.22 106.73 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.66 152.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.86 -4.83 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -41.85 120.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.28 63.8 2.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -95.3 165.34 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.27 -3.19 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -129.49 157.08 77.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 7.5 t -90.22 121.56 32.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 108.238 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.32 -26.48 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 12.4 m-20 -86.99 122.28 71.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -32.69 5.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.4 38.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -117.14 153.73 32.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.81 118.36 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.6 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.345 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.9 t80 -94.54 146.44 24.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 37.8 m -126.04 129.78 49.84 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -76.66 -64.71 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -157.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.6 -63.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -145.91 77.02 1.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.594 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -153.53 -71.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.1 m-85 -87.4 115.68 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' SER . 44.5 m -145.3 112.05 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.65 -179.13 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.765 ' O ' HD13 ' A' ' 4' ' ' LEU . 8.3 m -78.61 113.87 17.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.251 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' NH1' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.3 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.422 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.3 t -106.21 139.37 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -74.4 171.94 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -65.22 -47.23 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -86.85 44.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.556 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -141.49 106.89 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -40.75 149.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.55 3.75 10.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 108.202 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -61.28 115.39 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.46 21.4 79.58 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 2.5 pt20 -78.3 165.16 24.19 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.458 0.74 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.89 -3.9 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -116.21 155.33 48.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 167.76 26.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -85.0 133.15 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 57.1 m -53.67 -41.63 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 108.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.09 119.14 71.52 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.72 11.56 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -110.63 158.08 18.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -134.64 115.21 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 85.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.341 1.026 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.0 t80 -93.63 143.42 26.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -125.82 123.34 38.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.319 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.55 -60.78 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -156.19 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.01 -64.48 1.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.23 77.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.17 -40.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -131.53 111.03 11.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.83 113.15 5.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.33 171.83 14.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.97 125.28 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.661 HG12 ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -88.52 132.33 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.383 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 9.0 mmm-85 -83.54 164.06 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 110.339 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.668 HD21 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -51.82 -41.36 61.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 47.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.644 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.509 ' CB ' HG13 ' A' ' 2' ' ' VAL . 20.9 mt-10 -140.28 108.62 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -43.73 154.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.9 -3.42 11.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.283 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.024 HD11 ' O ' ' A' ' 29' ' ' ALA . 31.0 mt -40.0 111.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.35 43.8 14.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.394 1.059 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -74.71 174.16 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 110.304 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.48 -1.58 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.208 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -123.1 148.94 55.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 172.54 16.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 m -74.77 114.58 13.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.607 1.192 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.17 -28.02 1.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.42 132.8 23.55 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.08 7.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.9 25.95 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.74 159.44 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.68 90.42 2.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 13.6 t -47.12 90.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.6 t80 -104.48 145.45 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -123.2 128.17 49.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 108.216 -179.9 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.16 -166.67 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 -47.1 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.9 73.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.024 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.21 -95.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m-85 -84.48 114.66 22.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -148.0 114.81 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.415 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -146.85 171.26 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.971 -179.904 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.661 ' SG ' HG12 ' A' ' 2' ' ' VAL . 44.5 m -66.02 108.46 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.668 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.611 HG21 ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -134.91 127.84 49.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.5 mmp_? -79.62 174.87 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.807 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -61.79 -49.31 76.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 16.5 p-80 -86.8 45.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.53 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' SER . 47.3 mt-10 -138.44 110.58 7.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.3 147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.67 4.17 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 136.12 50.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.49 45.71 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.611 ' NE2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -96.05 167.36 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.435 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.46 -2.87 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.91 153.38 47.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -105.36 116.72 32.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -30.97 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 39.6 m-20 -87.76 122.21 70.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -27.43 10.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.53 30.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.915 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.73 128.13 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.1 p -115.76 129.91 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.87 82.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.6 t80 -99.95 146.89 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -131.62 122.48 26.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.557 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.46 -50.22 70.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -160.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.52 75.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.39 -83.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.328 1.018 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 77.6 m-85 -84.5 106.85 16.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -146.27 121.91 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -146.69 -165.18 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.915 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.1 m -93.13 112.14 24.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.807 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 142.08 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.91 164.2 26.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 3.1 tt -60.34 -54.03 50.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.38 46.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.669 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' SER . 46.0 mt-10 -139.32 108.43 6.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.4 153.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.65 -0.46 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -39.12 110.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.12 61.75 5.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.18 141.95 28.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -95.6 -18.81 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.627 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -114.39 152.57 46.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.627 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -94.64 124.28 38.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 108.222 -179.92 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -33.69 62.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.44 123.66 78.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.32 7.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.02 33.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -117.17 134.86 54.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -120.99 119.36 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 110.346 -179.884 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 48.6 t -59.31 83.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.352 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 t80 -94.23 141.37 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.22 123.46 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 108.3 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.58 -43.05 95.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.54 -164.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -52.01 9.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -148.48 75.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.84 -48.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.2 m-85 -132.86 114.7 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -149.6 112.45 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.78 -175.58 4.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 111.097 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.4 m -89.16 117.46 28.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 8.6 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -133.22 145.2 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.38 165.88 24.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.219 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -63.22 -54.2 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -84.74 46.04 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' SER . 25.0 mt-10 -138.96 108.3 6.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.58 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.953 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -127.13 6.22 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 29' ' ' ALA . 13.4 mt -38.94 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 63.77 51.08 56.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.2 pt20 -89.11 132.54 34.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -95.75 -10.95 27.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.9 156.17 43.05 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.619 1.852 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.32 131.58 41.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 73.0 m -51.06 -43.84 61.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.9 122.16 72.89 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.335 1.022 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.04 11.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.21 29.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -106.91 146.69 30.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -122.64 101.83 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -63.74 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.1 t80 -100.21 150.89 22.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -120.69 124.64 45.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.6 tpp180 -65.85 -65.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.45 -155.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.94 -63.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.06 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -146.45 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.003 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.56 -71.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -95.1 107.81 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.97 113.8 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -146.54 174.16 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.628 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -78.9 117.87 20.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 33' ' ' CYS . 41.2 t -134.08 120.04 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.61 162.85 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.38 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.82 HD21 ' NH1' ' A' ' 34' ' ' ARG . 7.4 tp -48.55 -36.86 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.57 46.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 109.539 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.564 ' CB ' HG13 ' A' ' 2' ' ' VAL . 30.5 mt-10 -143.75 109.92 5.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -47.94 157.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.67 -3.09 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 27.6 mt -39.58 113.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.79 44.32 8.56 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.397 1.06 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.522 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -76.78 172.23 13.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 0.798 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -133.76 -2.72 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.54 153.36 50.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.04 116.49 17.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 108.244 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -55.71 -42.28 75.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.349 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.901 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -56.36 160.01 5.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.93 45.62 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -80.56 159.72 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.83 104.49 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.71 88.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.267 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.1 t80 -99.19 145.29 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.54 127.64 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.918 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.5 -40.98 96.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -166.08 1.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -79.73 -48.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -145.92 74.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.48 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.1 m-85 -84.68 113.1 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -148.25 115.09 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.254 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.33 172.93 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 2' ' ' VAL . 57.0 m -70.29 116.61 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.261 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.82 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.4 129.15 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 175.01 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -62.94 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.389 1.056 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.55 45.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 7' ' ' SER . 53.6 mt-10 -136.98 110.98 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -31.73 145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 2.9 t -121.68 0.28 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -64.94 117.61 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.5 87.4 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -75.07 130.03 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.62 -4.37 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -124.21 155.7 67.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.394 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.07 169.45 22.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -91.37 118.3 30.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -32.05 12.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.01 120.14 68.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 3.43 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -89.79 129.32 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' TYR . 14.1 p -112.35 129.16 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.06 81.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 t80 -96.12 144.69 26.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.43 122.1 25.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.369 1.043 . . . . 0.0 108.253 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.86 -51.06 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.16 -157.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.42 -61.42 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -146.97 76.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.382 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -78.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 15.7 m-85 -89.59 103.6 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 5.6 t -146.31 124.93 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.229 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.87 -167.51 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.933 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.3 m -94.22 97.48 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 108.366 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.452 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -134.53 144.28 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.378 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -84.22 174.23 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -60.53 -53.11 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -84.91 45.69 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.375 1.047 . . . . 0.0 109.624 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.702 ' HB3' HG22 ' A' ' 2' ' ' VAL . 30.0 mt-10 -135.57 110.19 8.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.58 145.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.06 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.5 t -126.99 4.11 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.344 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.2 114.46 3.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.22 33.44 87.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -78.33 131.54 37.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -12.0 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.74 155.55 40.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.207 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.97 170.91 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG12 ' A' ' 2' ' ' VAL . 6.3 t -97.69 119.29 36.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -33.59 63.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 108.362 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.9 m-20 -76.03 120.71 82.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.23 8.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.61 30.65 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.11 149.4 30.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -138.46 130.36 28.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 110.469 179.953 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 t -62.07 80.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -98.15 142.76 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.627 1.205 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -128.35 125.73 39.28 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.96 -45.85 84.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.7 -158.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.79 -57.76 3.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -147.4 76.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.54 -86.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.9 m-85 -84.25 109.91 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.37 124.61 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.439 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.09 -167.54 2.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 9.8 m -92.9 95.24 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.448 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 17.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -135.33 150.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.448 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.4 168.2 14.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.588 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -63.66 -48.3 77.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -87.68 43.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.565 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.0 mt-10 -138.5 106.49 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -36.71 146.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.92 -4.66 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 108.25 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -48.64 113.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.11 68.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 5.6 tp60 -78.05 151.44 33.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.544 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.3 tt0 -127.48 -8.54 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.79 160.02 29.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.05 160.9 39.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.51 126.78 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -26.14 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 18.8 m-20 -67.26 145.32 98.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -83.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.375 1.724 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.35 52.61 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -86.02 158.4 19.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.16 103.15 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.67 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 108.355 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -95.47 144.27 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -125.45 124.57 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -64.74 -59.32 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.81 -156.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -77.23 -63.32 1.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.25 76.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -40.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.05 108.59 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -148.11 114.84 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -144.83 173.45 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.09 132.27 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.54 HH11 HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.12 167.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.912 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.502 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -85.3 167.47 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -66.47 -60.2 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.38 49.85 1.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 13.0 mt-10 -142.0 112.63 7.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -40.46 155.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.24 5.95 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 29' ' ' ALA . 26.8 mt -43.12 96.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 74.83 44.17 25.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' CYS . 2.1 pt20 -86.81 140.98 29.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -96.52 -19.06 19.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.234 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -110.71 150.79 42.27 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -174.26 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.407 1.741 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.51 130.93 35.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.131 . . . . 0.0 108.375 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -51.94 -39.99 60.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.58 136.06 27.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.13 12.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.3 7.18 20.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.18 153.6 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -139.27 92.45 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.398 -179.918 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 33.0 t -57.65 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -126.46 158.67 35.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -113.66 129.19 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.303 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.618 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.366 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.618 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.3 t80 -88.5 -155.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -67.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -147.43 73.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.983 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -147.82 -83.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.6 m-85 -83.96 108.49 16.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 0.8 OUTLIER -136.61 118.44 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -145.28 176.48 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 111.065 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 2' ' ' VAL . 38.9 m -75.15 101.76 4.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 6.6 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.588 HG21 ' OE1' ' A' ' 11' ' ' GLN . 1.1 t -105.91 159.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.8 mmp_? -79.57 170.77 16.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' A' ' 34' ' ' ARG . 1.2 tt -66.42 -60.21 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 48.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 20.9 mt-10 -136.87 107.08 6.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.08 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -123.62 1.07 8.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 108.224 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 63.7 mt -37.91 105.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.04 56.91 13.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.588 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -95.26 172.22 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -132.94 -2.63 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -128.47 156.47 77.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.595 1.184 . . . . 0.0 109.371 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.03 -175.97 2.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 17' ' ' ASP . 84.6 m -85.33 121.12 27.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 108.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.34 -28.6 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -91.24 135.52 28.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.95 6.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.35 29.76 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -110.4 146.19 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.19 109.35 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.954 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.4 t -57.81 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.301 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -101.15 145.24 29.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.56 123.56 39.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.1 tpp180 -63.36 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.53 -151.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.95 -62.55 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -148.62 30.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.55 -39.71 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.85 112.38 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -149.04 113.59 5.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 108.372 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.86 174.91 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LEU . 31.7 m -76.02 129.91 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' NH1' HD21 ' A' ' 4' ' ' LEU . 14.6 tpt85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.49 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.9 t -135.95 141.39 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -79.98 177.76 8.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 33' ' ' CYS . 1.2 tm? -64.84 -55.62 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -89.43 47.52 1.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 21.9 mt-10 -130.56 106.58 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.16 152.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -120.64 0.51 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -38.7 118.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 36.54 65.57 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.99 176.37 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.786 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.75 -2.8 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.727 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -126.28 151.66 72.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.95 -175.43 2.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.99 120.26 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.64 1.212 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -50.27 -31.12 13.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.371 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.3 m-20 -81.47 127.06 74.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.81 5.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.417 1.746 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.17 31.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -108.05 111.84 24.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 8.5 p -103.75 119.59 39.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.82 81.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.8 t80 -93.92 141.96 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -123.91 121.03 34.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.558 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.44 -52.37 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -159.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.79 -61.39 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.185 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -146.22 76.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.66 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.49 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.9 m-85 -95.26 108.18 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.36 116.35 6.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 108.257 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.65 -176.28 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.929 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 19.7 m -79.34 131.39 36.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.604 HG21 HE21 ' A' ' 11' ' ' GLN . 2.4 t -135.1 137.26 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 10.2 mmm-85 -83.34 173.57 11.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -57.68 -58.55 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.72 47.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 0.0 109.543 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.2 mt-10 -136.69 105.63 5.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.11 153.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.34 6.88 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.0 mt -42.55 119.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.209 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.39 43.76 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.604 HE21 HG21 ' A' ' 2' ' ' VAL . 3.4 pt20 -76.1 135.98 39.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 0.79 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -95.59 -11.53 27.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.29 152.33 45.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.65 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -98.62 121.46 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.221 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -51.95 -27.18 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.5 m-20 -89.25 116.59 66.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.36 34.2 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -106.03 156.33 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.625 HG23 ' HB3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.43 103.79 6.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.24 81.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 t80 -94.09 145.11 24.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -123.44 121.26 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.62 -66.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -156.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.09 -62.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -145.87 77.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.232 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.65 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.61 -77.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 m-30 -86.92 105.04 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.6 t -146.49 116.01 7.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -146.35 178.03 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.914 ' O ' HD13 ' A' ' 4' ' ' LEU . 1.3 m -82.25 121.12 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 108.337 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.625 ' HB3' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.13 126.68 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 109.4 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 16.8 mmm-85 -79.36 175.53 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.826 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -59.1 -52.86 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 28.4 t-80 -86.11 45.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.637 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 7' ' ' SER . 33.9 mt-10 -135.86 111.39 9.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -32.73 146.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.904 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.9 t -122.07 4.97 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.32 136.42 44.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.4 28.66 14.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -77.16 158.86 30.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.58 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 mt-30 -127.9 -20.15 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -102.37 156.15 35.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.908 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 163.1 35.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 8.7 t -85.08 116.67 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.336 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -29.99 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.98 119.7 65.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -26.92 10.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.79 9.1 15.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.909 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -96.7 129.75 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' TYR . 22.8 p -113.27 130.73 56.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.458 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.42 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.7 t80 -99.93 144.74 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.11 124.62 26.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.387 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -63.41 -61.66 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.179 -179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.37 -156.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -77.02 -64.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.65 76.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.96 -39.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.3 m-85 -130.88 107.22 8.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -147.39 121.07 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.89 -166.13 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.909 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 7.6 m -93.19 95.75 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.826 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.6 p . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.554 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -104.98 166.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.14 168.36 14.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -65.16 -56.37 13.25 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.62 ' CD2' HD23 ' A' ' 4' ' ' LEU . 61.5 m170 -84.75 46.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 109.683 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 18.4 mt-10 -139.97 111.51 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.01 151.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -134.86 10.24 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 126.66 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.38 40.32 53.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 6.9 tt0 -96.75 154.95 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -27.93 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -96.9 145.64 29.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.94 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.463 1.77 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.554 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -95.46 131.15 41.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 29.4 m -54.84 -40.79 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 108.262 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -90.82 114.95 63.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -25.22 12.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.89 13.06 7.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.373 1.045 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -85.16 178.15 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -137.79 86.81 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.5 t -65.76 75.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -117.39 156.6 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -114.31 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.84 -46.33 82.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.614 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -88.29 -155.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.195 . . . . 0.0 110.987 -179.942 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -77.77 -67.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -146.32 75.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.11 -83.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-30 -84.67 100.93 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.8 t -131.4 115.29 16.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -144.49 177.32 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -82.76 123.53 29.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' C ' ' A' ' 34' ' ' ARG . 1.6 tpt85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.5 t -134.23 138.23 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.44 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.1 mmp_? -81.85 173.21 12.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.925 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -64.48 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -86.6 45.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -138.07 105.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.199 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.98 149.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.0 -1.08 10.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 108.355 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.1 pp -55.85 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.28 20.23 33.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.83 158.3 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.357 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.89 -20.32 3.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.38 155.38 36.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.44 31.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.32 124.59 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 108.226 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -28.96 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.928 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 16.8 m-20 -85.22 120.24 73.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 -31.38 6.49 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.54 35.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -112.37 147.47 36.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -132.79 110.22 10.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -57.72 85.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 108.247 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.9 t80 -93.55 140.87 29.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -124.37 126.62 46.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -74.74 -63.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.98 -155.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -63.24 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -145.81 77.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.56 -71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.11 101.69 13.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' SER . 6.3 t -145.93 114.18 6.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 108.292 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 178.11 8.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -81.14 116.2 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.32 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 179.965 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.624 HG12 ' SG ' ' A' ' 33' ' ' CYS . 16.8 t -105.09 134.47 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.522 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -85.71 158.58 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -46.78 -39.71 12.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.68 46.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.615 ' CB ' HG13 ' A' ' 2' ' ' VAL . 58.8 mt-10 -144.51 108.27 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -44.61 155.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.936 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.29 -4.05 11.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' CYS . 19.7 mt -39.27 112.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.07 52.34 10.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.409 1.068 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -89.88 171.35 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -133.74 -2.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.25 147.15 37.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.05 27.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -72.01 114.39 10.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.397 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.89 -28.84 58.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.639 1.212 . . . . 0.0 108.334 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -66.61 158.71 78.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 -84.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.34 48.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -96.4 153.73 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -143.77 126.34 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 35.0 t -59.03 88.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.9 t80 -93.76 137.58 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -127.04 122.55 34.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 108.325 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.67 -28.41 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.13 -166.28 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.39 -50.42 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -147.64 75.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.66 -52.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 10.0 m-85 -133.53 114.27 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.1 t -148.81 114.54 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.05 178.47 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG12 ' A' ' 2' ' ' VAL . 35.2 m -75.64 137.11 40.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.449 1.093 . . . . 0.0 108.366 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.788 HG21 ' NE2' ' A' ' 11' ' ' GLN . 7.2 t -135.34 116.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.536 HH21 ' N ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -80.3 166.9 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -53.33 -38.23 63.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.38 45.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.612 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.0 mt-10 -139.97 110.9 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.45 157.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.379 1.049 . . . . 0.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -128.13 5.35 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.62 HD22 ' OD1' ' A' ' 28' ' ' ASN . 50.0 mt -40.45 114.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.22 51.37 0.92 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.788 ' NE2' HG21 ' A' ' 2' ' ' VAL . 2.6 pt20 -74.87 164.71 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.66 -2.97 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.04 156.63 40.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.13 168.48 24.66 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.571 1.827 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.4 m -98.7 126.13 44.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.59 -41.17 69.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 108.335 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.536 ' N ' HH21 ' A' ' 3' ' ' ARG . 12.9 m-20 -79.77 124.47 83.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.72 7.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.82 30.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -115.86 123.43 48.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' TYR . 17.4 p -111.98 126.65 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.31 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.6 t80 -109.37 146.99 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -127.07 -149.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.3 tpp180 -163.62 -64.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -155.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.7 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.62 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.6 t-20 -148.13 77.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 -75.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.5 m-85 -84.06 93.31 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -148.32 112.1 5.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.79 -163.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -98.25 119.47 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.551 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -99.36 149.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -85.32 167.17 15.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.373 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -57.08 -53.16 61.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.6 1.187 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -84.28 46.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.15 103.75 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -41.31 148.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.948 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.83 3.24 12.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.357 1.035 . . . . 0.0 108.302 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 29' ' ' ALA . 2.1 pp -61.44 101.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.4 28.74 26.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.551 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.08 170.23 9.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.606 0.827 . . . . 0.0 110.27 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -2.63 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -113.06 148.42 39.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.401 179.944 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.561 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 71.8 m -82.61 113.88 20.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.234 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -49.62 -26.35 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 7.9 m-20 -92.83 140.33 23.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -33.97 4.27 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.71 38.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -123.71 136.51 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -129.34 115.39 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.455 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 43.5 t -53.95 88.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 t80 -101.08 141.4 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -122.34 -152.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.353 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.1 tpp180 -162.51 -63.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.51 -154.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -64.31 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.22 78.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -156.07 -76.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.7 m-85 -84.04 95.86 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -149.62 111.78 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.45 177.83 8.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 2' ' ' VAL . 10.1 m -83.35 106.26 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.42 HG21 ' CD ' ' A' ' 11' ' ' GLN . 1.4 t -134.29 147.83 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 5.9 mmm-85 -80.04 168.12 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 8.8 tt -60.93 -53.35 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 26.1 t-80 -84.4 46.37 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.537 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -141.56 107.96 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.46 156.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -130.01 8.39 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 108.36 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 29' ' ' ALA . 10.3 mt -38.71 115.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.63 64.42 1.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.66 179.34 5.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 0.811 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -132.62 -3.0 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.6 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -127.14 152.7 76.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.66 121.32 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -26.77 8.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -94.55 115.05 64.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.21 9.78 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -100.96 159.54 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -137.12 109.01 7.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -65.92 91.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -124.67 155.89 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.6 m -108.82 127.5 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -70.06 -47.57 61.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -90.35 -156.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -67.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.1 73.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.988 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -148.56 -85.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -84.42 121.79 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 2.0 t -144.74 114.7 7.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.616 1.197 . . . . 0.0 108.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.2 -179.66 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.901 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -86.63 118.85 26.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 11.9 tpt85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.407 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -134.56 136.57 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.65 170.93 14.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.231 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.866 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -65.28 -49.59 68.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.09 45.62 1.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' SER . 52.0 mt-10 -138.17 106.08 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.61 148.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.889 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.61 2.82 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -58.17 115.72 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.14 30.29 77.03 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.493 1.12 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 8' ' ' CYS . 2.9 pt20 -74.93 173.55 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.759 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.86 -2.92 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.691 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.94 152.72 70.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.691 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.0 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.98 116.2 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.366 1.042 . . . . 0.0 108.275 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.4 -31.72 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.331 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 -83.53 114.66 54.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.68 9.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.432 1.754 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.28 29.74 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -101.16 156.78 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -133.51 98.06 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.15 84.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.8 t80 -98.35 147.85 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -120.04 126.55 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 108.37 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.5 tpp180 -69.06 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -154.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.213 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -76.82 -63.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -146.96 78.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -155.79 -72.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -92.84 106.69 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.96 114.69 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.23 173.34 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -76.97 126.3 30.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.866 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 28.6 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.0 t -143.9 148.14 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.9 mmp_? -85.51 169.23 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -57.64 -53.64 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 45.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.533 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.3 mt-10 -138.32 111.18 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.0 141.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.1 t -126.16 5.13 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -56.84 131.0 48.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.07 56.45 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.26 144.07 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.39 -5.34 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.89 152.59 70.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -74.98 -174.09 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -103.63 124.16 48.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.269 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.36 -27.15 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' CB ' HD12 ' A' ' 4' ' ' LEU . 20.6 m-20 -91.2 113.25 57.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.81 12.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 23.04 2.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -109.8 163.78 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -136.99 119.17 15.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 t -71.77 84.17 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -110.97 152.01 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -123.71 125.77 45.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.54 -65.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -156.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.19 -63.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -146.56 76.51 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.59 -79.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -84.33 107.01 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 5.1 t -146.03 120.45 9.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.09 -165.11 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -101.73 105.07 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 108.354 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.448 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 26.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -133.81 134.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.15 38.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.206 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -50.93 -38.13 48.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.35 44.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' SER . 88.4 mt-10 -145.46 110.12 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.16 154.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -123.37 5.71 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 108.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 29' ' ' ALA . 9.0 mt -41.91 115.83 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.18 50.11 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.625 1.203 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.3 pm0 -81.36 143.53 32.12 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 0.798 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.56 -13.35 23.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.74 151.7 42.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.94 170.5 20.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.8 127.63 35.01 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' VAL . 62.1 m -47.2 -50.1 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -83.31 118.46 71.64 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -25.68 11.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.13 28.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -96.75 170.2 9.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.44 99.6 3.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.0 t -60.58 84.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 108.267 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.1 t80 -97.32 146.66 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.365 1.041 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -119.15 125.9 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.354 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.61 -66.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -155.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.2 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.57 77.41 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.695 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -80.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.79 108.89 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.84 114.57 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 174.93 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -76.82 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 HH11 HD21 ' A' ' 4' ' ' LEU . 5.1 tpt85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.49 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.637 HG23 ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -107.18 142.71 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.12 160.45 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' A' ' 20' ' ' ALA . 1.1 tp -49.61 -48.74 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.96 45.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' CB ' HG13 ' A' ' 2' ' ' VAL . 15.0 mt-10 -145.97 112.17 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -36.97 154.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 18.7 t -126.46 9.04 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.637 1.21 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' GLY . 5.6 mt -39.91 117.43 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.72 62.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.637 ' NE2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.62 139.46 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.72 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -95.75 -5.35 42.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.769 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -112.05 152.72 44.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.769 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.04 -177.56 3.56 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.56 1.821 . . . . 0.0 110.992 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.31 123.9 31.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 108.222 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.68 -25.5 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 108.377 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -104.92 137.63 19.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.29 11.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.454 1.765 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.03 28.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -132.93 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -142.11 145.42 34.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.385 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.23 82.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.268 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.6 t80 -110.68 144.46 39.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.24 126.75 41.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.32 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -63.98 -60.57 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.31 -157.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -147.35 76.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.89 -39.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 25.6 m-85 -130.75 109.5 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -147.44 119.32 8.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.41 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.2 -163.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.0 m -92.19 79.9 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.51 HG23 ' NE2' ' A' ' 11' ' ' GLN . 2.5 t -135.27 132.55 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 163.66 22.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.422 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.17 47.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 42.0 mt-10 -139.03 113.6 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -35.14 150.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 t -124.4 2.07 8.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -48.26 124.61 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 34.27 63.02 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.618 1.199 . . . . 0.0 111.048 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.51 ' NE2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.7 136.12 36.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 0.795 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -95.51 -15.9 22.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.648 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -106.6 155.89 38.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.08 178.68 6.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.1 m -101.3 124.86 47.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.388 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -28.07 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.66 116.89 67.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.65 28.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -114.44 159.72 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.62 132.78 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.01 83.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 t80 -103.47 145.27 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 1.8 m -126.83 125.96 42.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.19 . . . . 0.0 108.244 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -65.72 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.31 -156.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -77.26 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.04 76.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 9' ' ' LEU . . . -155.43 -79.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.3 m-85 -85.66 110.31 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.46 119.9 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.407 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -145.32 -163.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.03 100.16 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 4.7 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' SG ' ' A' ' 15' ' ' CYS . 2.1 t -105.26 136.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -73.88 165.46 25.09 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.474 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -56.92 -53.25 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.232 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.16 45.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.4 mt-10 -139.39 109.31 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.33 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.48 1.3 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -43.19 115.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.42 55.53 3.09 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -83.01 151.51 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.381 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.32 -31.51 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -107.65 155.88 38.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.2 Cg_endo -75.06 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.92 131.64 36.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.651 1.219 . . . . 0.0 108.243 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 85.7 m -51.17 -44.9 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 4' ' ' LEU . 6.6 m-20 -88.42 116.45 66.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.45 12.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.77 25.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -98.34 165.17 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -131.79 99.03 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.96 85.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 108.235 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -100.83 148.48 24.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -119.36 126.61 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -67.61 -66.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.98 -156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -76.84 -62.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -146.39 77.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.6 -78.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -86.72 108.69 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -146.71 114.6 6.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.337 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.33 174.94 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.2 m -78.7 128.68 33.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.458 HG23 ' NE2' ' A' ' 11' ' ' GLN . 1.4 t -136.0 143.77 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 2.6 mmp_? -86.66 169.96 12.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.93 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -56.35 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -84.99 47.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.583 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.8 mt-10 -135.26 111.33 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.09 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.21 2.88 8.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLY . 1.4 mt -44.82 124.7 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 33.36 62.62 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' NE2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.15 137.72 33.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 0.753 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -15.22 23.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.692 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.96 151.95 42.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.378 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -179.63 5.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.424 1.75 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 3.5 t -98.38 125.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.245 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.55 -26.51 32.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.244 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' OD2' ' NH2' ' A' ' 3' ' ' ARG . 5.0 m-20 -89.27 128.83 49.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.61 8.02 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.55 28.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -107.94 129.71 55.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.9 p -122.22 127.82 50.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.85 83.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.0 t80 -99.91 145.89 27.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -129.85 124.15 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -64.57 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -156.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.98 -62.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -146.39 76.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.57 -79.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.2 m-85 -84.56 107.95 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.87 122.23 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.33 -164.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.93 ' O ' HD13 ' A' ' 4' ' ' LEU . 3.3 m -93.41 106.99 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 4.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 6' ' ' GLU . 37.2 t -105.03 132.06 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -79.2 160.94 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.748 HD23 HH12 ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.67 -41.6 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.57 48.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.38 1.05 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.746 ' HB3' HG13 ' A' ' 2' ' ' VAL . 10.7 mt-10 -145.44 115.72 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -40.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.6 t -126.37 3.97 6.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD11 ' O ' ' A' ' 29' ' ' ALA . 63.1 mt -47.77 106.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.01 45.08 95.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -74.92 130.78 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.244 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.94 -13.44 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -115.57 157.59 43.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.92 168.6 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 72.2 m -73.84 134.07 43.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 108.256 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 16.3 m -55.81 -39.63 71.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.38 142.74 26.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.67 10.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.99 27.79 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.59 140.7 49.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -140.37 137.9 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.81 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.172 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.5 t80 -107.47 143.72 35.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -126.98 126.76 43.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.17 . . . . 0.0 108.365 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -66.53 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.13 -156.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -63.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -146.32 77.02 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.677 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.51 -79.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 18.9 m-85 -84.86 109.62 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.5 t -146.86 120.7 9.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.218 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.69 -164.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.628 1.205 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 22.9 m -86.95 100.44 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.748 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' N ' HG11 ' A' ' 13' ' ' VAL . 4.5 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -136.01 148.89 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.587 1.179 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.7 mmp_? -77.66 161.06 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD12 ' OD2' ' A' ' 17' ' ' ASP . 2.0 tt -60.53 -43.44 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.356 1.035 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -92.25 46.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.535 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 78.6 mt-10 -142.61 109.11 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -42.08 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.06 8.51 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.2 mt -45.07 107.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.404 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.52 46.02 94.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 3.0 pt20 -85.57 173.83 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -133.14 -2.96 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.28 150.82 45.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 -178.25 4.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.2 m -82.65 113.34 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 108.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -36.47 68.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.788 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -60.81 164.65 7.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -83.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.32 46.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.788 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -98.1 145.05 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -142.91 126.67 17.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.459 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.38 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 108.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.3 t80 -94.2 142.61 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.367 1.042 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.7 m -122.22 124.39 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.53 -66.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.75 -156.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -77.19 -63.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.33 77.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.42 -72.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -92.32 107.37 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -147.08 115.57 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.61 176.02 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 m -72.01 126.0 28.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 108.334 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' C ' ' HA ' ' A' ' 20' ' ' ALA . 38.9 tpt85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' PRO . 29.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.478 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -137.12 143.31 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 168.83 19.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.413 1.071 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.86 -55.94 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.94 45.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.561 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 19.9 mt-10 -136.66 107.08 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.63 1.206 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -37.57 153.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.28 -0.54 11.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.597 1.186 . . . . 0.0 108.267 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 29' ' ' ALA . 11.7 mt -37.57 116.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.55 64.2 2.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.179 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.04 171.04 8.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -132.68 -2.92 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.757 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.29 154.37 81.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 179.94 5.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.78 124.94 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.28 -27.48 46.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.5 124.48 60.85 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.37 9.15 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.531 1.806 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.82 30.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -119.52 137.0 54.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -126.21 124.8 41.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.37 80.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' THR . 19.4 t80 -94.24 141.68 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -124.79 130.75 52.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.15 -36.94 77.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.04 -165.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -47.21 15.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -146.19 74.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.739 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.57 -94.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.7 m-85 -84.6 117.35 23.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -148.63 113.31 5.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.791 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.6 m -88.25 118.23 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 108.351 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 132.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.317 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 174.28 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -62.04 -52.36 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -86.27 46.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.523 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -135.29 110.73 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -125.63 3.3 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 1.3 pp -64.11 107.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.53 62.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -76.35 130.97 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.251 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -16.98 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -109.36 155.48 41.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.99 175.41 11.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.3 t -94.59 122.53 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -36.23 66.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.14 121.21 78.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.18 4.5 30.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -92.61 146.44 23.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -134.83 127.71 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.92 82.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 108.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.5 t80 -103.55 143.03 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -131.13 124.0 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 108.23 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.2 tpp180 -65.31 -56.56 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -156.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.36 -65.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -146.74 76.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.03 -39.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 m-85 -131.31 103.27 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.8 t -147.73 119.26 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -146.84 -163.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m -95.92 100.67 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.584 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.431 HG21 HE21 ' A' ' 11' ' ' GLN . 1.4 t -135.02 130.46 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -85.81 173.63 9.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -57.98 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -84.84 45.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.652 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' SER . 87.1 mt-10 -139.13 108.4 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -35.36 145.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 3.8 t -120.37 5.41 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 133.99 47.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.202 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.47 32.46 10.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -75.09 166.13 24.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -132.75 -2.77 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.76 155.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.693 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 4.5 t -90.18 117.08 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -29.93 20.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -88.11 116.45 66.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.372 1.045 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.78 9.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.64 6.42 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.391 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.86 165.35 16.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.18 112.03 5.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.467 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.95 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.4 t80 -111.36 147.03 36.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.6 128.3 46.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.572 1.17 . . . . 0.0 108.334 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -64.37 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -154.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.13 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -146.91 29.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.04 -84.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -84.48 114.9 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.7 t -146.93 118.13 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -147.66 -165.51 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.571 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.7 m -99.11 112.14 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.158 . . . . 0.0 108.237 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.451 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -105.58 137.6 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -86.49 157.64 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.668 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -54.84 -41.86 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.98 44.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' SER . 36.3 mt-10 -145.72 111.89 5.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.647 1.217 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.23 154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -122.16 0.58 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 108.371 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.915 HD11 ' O ' ' A' ' 29' ' ' ALA . 39.0 mt -37.14 111.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 37.64 49.18 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 1.6 pm0 -74.73 143.83 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -14.42 23.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 110.202 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.44 152.09 41.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.6 Cg_endo -74.88 168.76 24.1 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.58 115.32 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -26.5 12.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.791 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 54.9 m-20 -67.44 142.96 96.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -83.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.96 52.67 2.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 109.385 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -79.94 162.14 25.11 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -140.5 96.31 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.86 86.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 25.6 t80 -96.94 145.69 25.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.1 m -120.93 125.11 46.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.7 tpp180 -65.61 -66.42 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -156.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -77.24 -62.83 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.12 77.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.915 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.39 -70.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.603 1.19 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.6 m-85 -95.13 110.4 22.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -147.22 115.1 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.348 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -142.69 173.44 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.1 m -74.46 129.74 38.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.328 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.568 HH11 HD21 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 7.2 p . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.8 t -106.08 146.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 22.1 mmm-85 -85.95 173.83 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.93 HD21 ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -65.02 -47.58 76.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 45.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' SER . 20.1 mt-10 -146.38 108.37 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.41 153.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.89 3.04 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 108.316 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 29' ' ' ALA . 3.3 mt -37.51 119.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.78 50.99 18.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.608 ' CG ' ' O ' ' A' ' 13' ' ' VAL . 2.0 tt0 -94.23 130.1 40.6 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.433 0.725 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -24.11 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.802 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -94.88 156.55 37.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.802 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.52 136.56 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' VAL . 46.3 m -51.07 -39.25 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 108.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -97.7 117.89 64.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -24.02 13.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.1 23.77 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -103.17 165.26 11.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.76 104.87 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.437 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.26 84.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.248 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.0 t80 -98.73 147.78 24.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 111.014 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -119.21 127.16 53.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -68.93 -66.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -156.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -77.07 -62.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -146.25 77.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.55 -79.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.188 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -84.67 108.54 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.8 t -146.8 114.89 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.356 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.91 172.8 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.77 125.7 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.221 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.93 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -139.16 148.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -86.71 175.13 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.798 HD23 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -63.37 -55.85 21.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -85.58 45.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.526 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' SER . 48.3 mt-10 -134.03 107.76 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.26 143.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.5 t -123.72 8.93 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -68.59 128.97 38.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.87 44.48 81.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.08 169.22 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.737 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.9 -1.82 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.699 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -124.13 155.28 68.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.699 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -174.22 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.437 1.756 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 2' ' ' VAL . 1.1 t -103.97 121.52 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 108.395 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -29.99 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 5.1 m-20 -82.59 127.96 68.4 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -29.44 8.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.69 32.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.56 134.36 55.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -124.8 116.2 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.452 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.61 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 108.333 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.4 t80 -109.53 147.47 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.98 133.46 50.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.327 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -65.6 -39.57 91.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.67 -165.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -78.93 -48.17 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.81 75.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.9 m-85 -84.15 113.76 21.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 4.7 t -146.91 117.99 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 108.364 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -147.26 -164.82 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.924 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.1 m -97.44 107.01 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.798 HH12 HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.499 HG13 ' CB ' ' A' ' 6' ' ' GLU . 2.5 t -136.72 139.09 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 165.84 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.76 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -53.7 -48.4 69.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -88.94 45.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.555 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.2 mt-10 -143.05 113.21 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -34.76 150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.106 . . . . 0.0 110.048 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 4.3 t -129.5 8.92 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 108.254 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.95 131.71 37.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.43 16.15 66.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.23 127.72 41.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 0.0 110.366 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -3.74 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -100.79 156.41 35.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.659 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.6 Cg_endo -75.02 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.39 1.731 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -105.94 122.86 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -26.35 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 112.47 60.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.32 10.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.06 30.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -103.95 175.03 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.35 92.84 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 7.8 t -63.67 79.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 24' ' ' CYS . 15.8 t80 -130.43 158.26 40.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -114.29 135.36 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.401 1.063 . . . . 0.0 108.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.605 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -47.65 76.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.372 1.045 . . . . 0.0 110.301 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.605 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.8 t80 -87.93 -155.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.63 -67.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.94 75.31 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.12 -84.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 3.4 m-85 -84.28 97.8 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 1.7 t -126.96 117.55 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -146.15 -168.12 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -95.93 112.29 24.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.76 ' NH1' HD21 ' A' ' 4' ' ' LEU . 5.2 tpt85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.847 HG21 ' NE2' ' A' ' 11' ' ' GLN . 53.7 t -133.67 118.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.421 HH21 ' N ' ' A' ' 17' ' ' ASP . 1.2 mmp_? -80.57 162.15 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.698 HD21 HH12 ' A' ' 34' ' ' ARG . 2.0 tp -46.65 -35.88 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 45.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.57 ' CB ' HG13 ' A' ' 2' ' ' VAL . 21.3 mt-10 -145.38 109.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -46.69 152.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.0 t -115.44 -0.32 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -46.55 121.99 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.54 45.01 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.847 ' NE2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -74.71 176.16 7.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 0.797 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -132.7 -2.61 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.443 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -123.97 152.92 67.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -176.15 2.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 m -92.74 115.54 28.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -52.56 13.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.421 ' N ' HH21 ' A' ' 3' ' ' ARG . 0.7 OUTLIER -73.81 134.11 78.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.59 5.89 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.82 144.78 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -145.41 156.17 43.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 t -60.42 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.8 t80 -102.34 150.51 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 45.7 m -130.17 133.83 46.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 108.328 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -75.85 -65.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.86 -155.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -77.07 -63.46 1.36 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -146.26 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -70.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -86.83 115.85 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 67.9 m -146.43 114.11 6.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.75 -166.05 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 2' ' ' VAL . 13.8 m -85.47 81.99 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.319 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.698 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG2' ' OE1' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -106.2 146.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.42 171.98 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -63.91 -53.36 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.75 46.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.64 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 62.5 mt-10 -139.44 108.11 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -39.11 155.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -122.35 1.12 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 108.343 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 mt -36.93 127.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.37 50.83 4.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.508 ' OE1' ' CG2' ' A' ' 2' ' ' VAL . 9.0 tt0 -89.93 158.44 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.757 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 36.9 tt0 -133.09 -4.59 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -112.11 156.59 41.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.4 1.737 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.3 133.09 36.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 55.0 m -51.54 -41.64 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.12 127.61 54.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.23 10.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.96 29.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -115.08 120.9 41.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -108.98 122.19 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.462 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 40.0 t -60.04 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.6 t80 -93.83 141.59 28.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -120.53 124.99 46.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 108.349 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.5 tpp180 -68.03 -65.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -155.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -62.24 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.367 1.042 . . . . 0.0 111.012 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.33 77.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.64 -80.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.58 108.46 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.67 116.65 7.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.635 1.21 . . . . 0.0 108.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.11 -176.81 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.907 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.8 m -83.55 115.75 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.558 HG21 HE21 ' A' ' 11' ' ' GLN . 1.4 t -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.403 1.064 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CZ ' ' OD2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -85.35 162.22 19.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 20' ' ' ALA . 7.4 tt -55.86 -52.37 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -84.85 46.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.5 mt-10 -142.03 108.98 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -37.76 155.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -124.95 6.71 7.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 9' ' ' LEU . 7.6 mt -43.72 116.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.58 42.54 4.67 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.558 HE21 HG21 ' A' ' 2' ' ' VAL . 2.9 pt20 -76.67 144.58 39.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -16.27 21.3 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -115.16 146.08 35.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.777 . . . . 0.0 111.018 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' HG12 ' A' ' 2' ' ' VAL . 2.0 m -90.53 118.2 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.348 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -31.38 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 3' ' ' ARG . 17.4 m-20 -82.46 117.99 70.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.92 10.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.376 1.724 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.35 25.07 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.918 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.18 134.0 55.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -113.2 114.03 26.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.84 89.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -126.69 158.85 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.8 m -112.31 128.18 56.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -65.19 -46.42 80.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -89.67 -154.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -68.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -147.7 72.19 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.04 -78.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 4.5 m-30 -86.72 107.72 18.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.063 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 7' ' ' SER . 82.5 m -126.13 112.23 15.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -145.73 -175.6 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 111.077 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.918 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.2 m -92.51 119.61 32.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 13.0 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.639 HG21 ' OE1' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -133.92 134.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 1.9 mmp_? -79.22 173.31 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -59.28 -58.6 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -84.04 47.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.56 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' SER . 27.4 mt-10 -134.22 106.73 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.66 152.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.86 -4.83 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -41.85 120.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.28 63.8 2.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -95.3 165.34 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.27 -3.19 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -129.49 157.08 77.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 7.5 t -90.22 121.56 32.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 108.238 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.32 -26.48 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 12.4 m-20 -86.99 122.28 71.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -32.69 5.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.4 38.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -117.14 153.73 32.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.81 118.36 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.6 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.345 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.9 t80 -94.54 146.44 24.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 37.8 m -126.04 129.78 49.84 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -76.66 -64.71 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -157.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.6 -63.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -145.91 77.02 1.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.594 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -153.53 -71.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.1 m-85 -87.4 115.68 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' SER . 44.5 m -145.3 112.05 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.65 -179.13 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.765 ' O ' HD13 ' A' ' 4' ' ' LEU . 8.3 m -78.61 113.87 17.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.251 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' NH1' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.3 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.3 t -106.21 139.37 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -74.4 171.94 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -65.22 -47.23 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -86.85 44.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.556 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -141.49 106.89 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -40.75 149.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.55 3.75 10.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 108.202 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -61.28 115.39 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.46 21.4 79.58 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 2.5 pt20 -78.3 165.16 24.19 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.458 0.74 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.89 -3.9 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -116.21 155.33 48.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 167.76 26.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -85.0 133.15 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 57.1 m -53.67 -41.63 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 108.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.09 119.14 71.52 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.72 11.56 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB2' HD12 ' A' ' 4' ' ' LEU . . . -110.63 158.08 18.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -134.64 115.21 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 85.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.341 1.026 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.0 t80 -93.63 143.42 26.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -125.82 123.34 38.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.319 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.3 tpp180 -64.55 -60.78 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -156.19 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.01 -64.48 1.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.23 77.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.17 -40.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -131.53 111.03 11.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.83 113.15 5.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.33 171.83 14.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.97 125.28 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.661 HG12 ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -88.52 132.33 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.383 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 9.0 mmm-85 -83.54 164.06 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 110.339 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.668 HD21 HH12 ' A' ' 34' ' ' ARG . 0.2 OUTLIER -51.82 -41.36 61.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 47.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.644 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.509 ' CB ' HG13 ' A' ' 2' ' ' VAL . 20.9 mt-10 -140.28 108.62 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -43.73 154.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.9 -3.42 11.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.283 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.024 HD11 ' O ' ' A' ' 29' ' ' ALA . 31.0 mt -40.0 111.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.35 43.8 14.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.394 1.059 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -74.71 174.16 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 110.304 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.48 -1.58 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.208 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -123.1 148.94 55.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 172.54 16.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 m -74.77 114.58 13.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.607 1.192 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.17 -28.02 1.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.42 132.8 23.55 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.08 7.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.9 25.95 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.74 159.44 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.68 90.42 2.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 13.6 t -47.12 90.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' THR . 3.6 t80 -104.48 145.45 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -123.2 128.17 49.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 108.216 -179.9 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.16 -166.67 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 -47.1 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.9 73.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.024 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.21 -95.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m-85 -84.48 114.66 22.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -148.0 114.81 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.415 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -146.85 171.26 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.971 -179.904 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.661 ' SG ' HG12 ' A' ' 2' ' ' VAL . 44.5 m -66.02 108.46 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.668 HH12 HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.611 HG21 ' NE2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -134.91 127.84 49.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.5 mmp_? -79.62 174.87 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.807 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -61.79 -49.31 76.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 16.5 p-80 -86.8 45.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.53 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' SER . 47.3 mt-10 -138.44 110.58 7.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -34.3 147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -124.67 4.17 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 136.12 50.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.49 45.71 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.611 ' NE2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -96.05 167.36 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.435 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.46 -2.87 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.91 153.38 47.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -105.36 116.72 32.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -30.97 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 39.6 m-20 -87.76 122.21 70.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -27.43 10.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.53 30.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.915 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -116.73 128.13 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' TYR . 18.1 p -115.76 129.91 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.87 82.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' THR . 12.6 t80 -99.95 146.89 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -131.62 122.48 26.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.46 -50.22 70.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -160.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -146.52 75.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.39 -83.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.328 1.018 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 77.6 m-85 -84.5 106.85 16.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -146.27 121.91 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -146.69 -165.18 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.915 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 2.1 m -93.13 112.14 24.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.807 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -135.09 142.08 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.91 164.2 26.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 3.1 tt -60.34 -54.03 50.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.38 46.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.669 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' SER . 46.0 mt-10 -139.32 108.43 6.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -36.4 153.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -118.65 -0.46 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -39.12 110.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.12 61.75 5.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.18 141.95 28.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -95.6 -18.81 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.627 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -114.39 152.57 46.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.627 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.06 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -94.64 124.28 38.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 108.222 -179.92 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -33.69 62.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.44 123.66 78.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.32 7.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.02 33.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -117.17 134.86 54.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -120.99 119.36 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 110.346 -179.884 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 48.6 t -59.31 83.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.352 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 t80 -94.23 141.37 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.22 123.46 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 108.3 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.58 -43.05 95.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.54 -164.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -52.01 9.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -148.48 75.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.84 -48.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.2 m-85 -132.86 114.7 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -149.6 112.45 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.78 -175.58 4.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 111.097 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.4 m -89.16 117.46 28.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 8.6 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -133.22 145.2 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.38 165.88 24.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.219 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -63.22 -54.2 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -84.74 46.04 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' SER . 25.0 mt-10 -138.96 108.3 6.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -39.58 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.953 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -127.13 6.22 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 29' ' ' ALA . 13.4 mt -38.94 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 63.77 51.08 56.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.2 pt20 -89.11 132.54 34.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -95.75 -10.95 27.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.9 156.17 43.05 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.619 1.852 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.32 131.58 41.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 73.0 m -51.06 -43.84 61.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.9 122.16 72.89 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.335 1.022 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.04 11.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.21 29.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -106.91 146.69 30.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -122.64 101.83 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -63.74 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.1 t80 -100.21 150.89 22.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -120.69 124.64 45.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 1.6 tpp180 -65.85 -65.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.45 -155.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.94 -63.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.06 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -146.45 78.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.003 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.56 -71.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -95.1 107.81 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.3 t -146.97 113.8 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -146.54 174.16 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.628 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -78.9 117.87 20.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 33' ' ' CYS . 41.2 t -134.08 120.04 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.61 162.85 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.38 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.82 HD21 ' NH1' ' A' ' 34' ' ' ARG . 7.4 tp -48.55 -36.86 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.57 46.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 109.539 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' CB ' HG13 ' A' ' 2' ' ' VAL . 30.5 mt-10 -143.75 109.92 5.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -47.94 157.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.67 -3.09 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.979 HD11 ' O ' ' A' ' 29' ' ' ALA . 27.6 mt -39.58 113.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.79 44.32 8.56 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.397 1.06 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.522 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -76.78 172.23 13.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 0.798 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -133.76 -2.72 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.54 153.36 50.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.04 116.49 17.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 108.244 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -55.71 -42.28 75.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.349 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.901 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -56.36 160.01 5.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.93 45.62 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.901 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -80.56 159.72 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -145.83 104.49 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.71 88.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.267 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.1 t80 -99.19 145.29 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.54 127.64 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.918 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.5 -40.98 96.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -166.08 1.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -79.73 -48.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -145.92 74.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.979 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.48 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.1 m-85 -84.68 113.1 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.9 t -148.25 115.09 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.254 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.33 172.93 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 2' ' ' VAL . 57.0 m -70.29 116.61 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.261 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.82 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.4 129.15 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 175.01 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -62.94 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.389 1.056 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.55 45.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 7' ' ' SER . 53.6 mt-10 -136.98 110.98 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -31.73 145.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 2.9 t -121.68 0.28 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -64.94 117.61 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.5 87.4 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -75.07 130.03 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.62 -4.37 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -124.21 155.7 67.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.394 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.07 169.45 22.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 5.6 t -91.37 118.3 30.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -32.05 12.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.01 120.14 68.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 3.43 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -89.79 129.32 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' TYR . 14.1 p -112.35 129.16 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.06 81.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 t80 -96.12 144.69 26.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.43 122.1 25.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.369 1.043 . . . . 0.0 108.253 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.86 -51.06 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.16 -157.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.42 -61.42 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -146.97 76.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.382 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -78.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 15.7 m-85 -89.59 103.6 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 5.6 t -146.31 124.93 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.229 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.87 -167.51 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.933 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.3 m -94.22 97.48 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 108.366 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.452 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -134.53 144.28 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.378 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -84.22 174.23 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -60.53 -53.11 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -84.91 45.69 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.375 1.047 . . . . 0.0 109.624 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.702 ' HB3' HG22 ' A' ' 2' ' ' VAL . 30.0 mt-10 -135.57 110.19 8.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -32.58 145.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.06 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.5 t -126.99 4.11 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.344 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.2 114.46 3.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.22 33.44 87.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -78.33 131.54 37.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -12.0 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -108.74 155.55 40.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.207 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 18.4 Cg_endo -74.97 170.91 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG12 ' A' ' 2' ' ' VAL . 6.3 t -97.69 119.29 36.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -33.59 63.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 108.362 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.9 m-20 -76.03 120.71 82.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.23 8.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.61 30.65 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -111.11 149.4 30.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -138.46 130.36 28.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 110.469 179.953 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 t -62.07 80.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.14 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -98.15 142.76 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.627 1.205 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.6 m -128.35 125.73 39.28 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.96 -45.85 84.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.7 -158.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.79 -57.76 3.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -147.4 76.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.54 -86.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.9 m-85 -84.25 109.91 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.6 t -146.37 124.61 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' HA ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.09 -167.54 2.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 9.8 m -92.9 95.24 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.448 ' SG ' ' NH2' ' A' ' 3' ' ' ARG . 17.4 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.4 t -135.33 150.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.448 ' NH2' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.4 168.2 14.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD12 ' CG ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -63.66 -48.3 77.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -87.68 43.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.565 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' SER . 40.0 mt-10 -138.5 106.49 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -36.71 146.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.92 -4.66 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 108.25 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -48.64 113.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.11 68.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 5.6 tp60 -78.05 151.44 33.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.544 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.3 tt0 -127.48 -8.54 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -109.79 160.02 29.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.05 160.9 39.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.51 126.78 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -26.14 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 18.8 m-20 -67.26 145.32 98.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -83.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.375 1.724 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.35 52.61 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . -86.02 158.4 19.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.16 103.15 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.67 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 108.355 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -95.47 144.27 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -125.45 124.57 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.6 tpp180 -64.74 -59.32 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.81 -156.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -77.23 -63.32 1.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.25 76.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.79 -40.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.05 108.59 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -148.11 114.84 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -144.83 173.45 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -78.09 132.27 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.54 HH11 HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.12 167.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.912 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.502 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -85.3 167.47 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -66.47 -60.2 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.38 49.85 1.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 13.0 mt-10 -142.0 112.63 7.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -40.46 155.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -128.24 5.95 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 29' ' ' ALA . 26.8 mt -43.12 96.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . 74.83 44.17 25.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' CYS . 2.1 pt20 -86.81 140.98 29.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -96.52 -19.06 19.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.234 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -110.71 150.79 42.27 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -174.26 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.407 1.741 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.51 130.93 35.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.131 . . . . 0.0 108.375 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -51.94 -39.99 60.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.58 136.06 27.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.13 12.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.3 7.18 20.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -85.18 153.6 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -139.27 92.45 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.398 -179.918 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 33.0 t -57.65 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -126.46 158.67 35.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -113.66 129.19 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.303 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.618 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.366 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.618 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 1.3 t80 -88.5 -155.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -67.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -147.43 73.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.983 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -147.82 -83.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.6 m-85 -83.96 108.49 16.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' SER . 0.8 OUTLIER -136.61 118.44 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -145.28 176.48 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 111.065 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 2' ' ' VAL . 38.9 m -75.15 101.76 4.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 6.6 tpt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.588 HG21 ' OE1' ' A' ' 11' ' ' GLN . 1.1 t -105.91 159.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 8.8 mmp_? -79.57 170.77 16.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' A' ' 34' ' ' ARG . 1.2 tt -66.42 -60.21 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 48.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 20.9 mt-10 -136.87 107.08 6.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.08 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -123.62 1.07 8.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 108.224 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 63.7 mt -37.91 105.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.04 56.91 13.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.588 ' OE1' HG21 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -95.26 172.22 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -132.94 -2.63 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.842 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -128.47 156.47 77.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.595 1.184 . . . . 0.0 109.371 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.842 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.03 -175.97 2.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 17' ' ' ASP . 84.6 m -85.33 121.12 27.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 108.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -46.34 -28.6 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -91.24 135.52 28.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.95 6.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.35 29.76 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -110.4 146.19 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -136.19 109.35 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.954 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.4 t -57.81 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.301 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.9 t80 -101.15 145.24 29.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -125.56 123.56 39.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.1 tpp180 -63.36 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.53 -151.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.95 -62.55 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -148.62 30.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.55 -39.71 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -132.85 112.38 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.2 t -149.04 113.59 5.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 108.372 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.86 174.91 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LEU . 31.7 m -76.02 129.91 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' NH1' HD21 ' A' ' 4' ' ' LEU . 14.6 tpt85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.49 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 1.9 t -135.95 141.39 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB2' ' CG ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -79.98 177.76 8.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 33' ' ' CYS . 1.2 tm? -64.84 -55.62 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -89.43 47.52 1.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 21.9 mt-10 -130.56 106.58 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.16 152.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -120.64 0.51 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -38.7 118.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 36.54 65.57 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.99 176.37 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.786 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.75 -2.8 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.727 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -126.28 151.66 72.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.95 -175.43 2.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.99 120.26 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.64 1.212 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -50.27 -31.12 13.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.371 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.3 m-20 -81.47 127.06 74.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.81 5.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.417 1.746 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.17 31.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -108.05 111.84 24.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 8.5 p -103.75 119.59 39.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.82 81.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.8 t80 -93.92 141.96 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -123.91 121.03 34.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.558 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.44 -52.37 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -159.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.79 -61.39 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.185 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -146.22 76.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.66 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.49 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 35.9 m-85 -95.26 108.18 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.7 t -147.36 116.35 6.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 108.257 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -145.65 -176.28 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.929 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 19.7 m -79.34 131.39 36.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.332 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.604 HG21 HE21 ' A' ' 11' ' ' GLN . 2.4 t -135.1 137.26 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 10.2 mmm-85 -83.34 173.57 11.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -57.68 -58.55 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.72 47.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 0.0 109.543 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' SER . 12.2 mt-10 -136.69 105.63 5.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.11 153.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -118.34 6.88 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' O ' ' A' ' 29' ' ' ALA . 4.0 mt -42.55 119.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.209 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.39 43.76 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.604 HE21 HG21 ' A' ' 2' ' ' VAL . 3.4 pt20 -76.1 135.98 39.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 0.79 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -95.59 -11.53 27.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.29 152.33 45.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.65 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -98.62 121.46 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.221 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 m -51.95 -27.18 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.5 m-20 -89.25 116.59 66.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.36 34.2 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . -106.03 156.33 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.625 HG23 ' HB3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.43 103.79 6.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.24 81.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 t80 -94.09 145.11 24.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.4 m -123.44 121.26 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.62 -66.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -156.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.09 -62.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -145.87 77.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.232 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.65 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -155.61 -77.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.0 m-30 -86.92 105.04 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.6 t -146.49 116.01 7.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -146.35 178.03 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.914 ' O ' HD13 ' A' ' 4' ' ' LEU . 1.3 m -82.25 121.12 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 108.337 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.625 ' HB3' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.1 t -134.13 126.68 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 109.4 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 16.8 mmm-85 -79.36 175.53 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.826 HD21 ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -59.1 -52.86 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 28.4 t-80 -86.11 45.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.637 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 7' ' ' SER . 33.9 mt-10 -135.86 111.39 9.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -32.73 146.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.904 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.9 t -122.07 4.97 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.32 136.42 44.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.4 28.66 14.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -77.16 158.86 30.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.58 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 mt-30 -127.9 -20.15 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -102.37 156.15 35.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.908 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 163.1 35.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' HG12 ' A' ' 2' ' ' VAL . 8.7 t -85.08 116.67 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.336 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -29.99 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.98 119.7 65.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -26.92 10.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.79 9.1 15.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.909 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -96.7 129.75 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' TYR . 22.8 p -113.27 130.73 56.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.458 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.42 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.7 t80 -99.93 144.74 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.11 124.62 26.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.387 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.7 tpp180 -63.41 -61.66 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.179 -179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.37 -156.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -77.02 -64.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.65 76.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.96 -39.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.3 m-85 -130.88 107.22 8.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' SER . 5.0 t -147.39 121.07 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -146.89 -166.13 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.909 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 7.6 m -93.19 95.75 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.826 ' NH1' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 3.6 p . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.554 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -104.98 166.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -86.14 168.36 14.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -65.16 -56.37 13.25 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.62 ' CD2' HD23 ' A' ' 4' ' ' LEU . 61.5 m170 -84.75 46.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 109.683 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' SER . 18.4 mt-10 -139.97 111.51 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.01 151.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -134.86 10.24 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 126.66 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.38 40.32 53.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 6.9 tt0 -96.75 154.95 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -27.93 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -96.9 145.64 29.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.928 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.94 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.463 1.77 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -95.46 131.15 41.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 29.4 m -54.84 -40.79 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 108.262 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -90.82 114.95 63.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -25.22 12.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.89 13.06 7.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.373 1.045 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . . . -85.16 178.15 7.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -137.79 86.81 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 42.5 t -65.76 75.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -117.39 156.6 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -114.31 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.84 -46.33 82.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.614 ' N ' ' HE ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -88.29 -155.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.195 . . . . 0.0 110.987 -179.942 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -77.77 -67.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -146.32 75.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.11 -83.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-30 -84.67 100.93 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.8 t -131.4 115.29 16.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -144.49 177.32 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -82.76 123.53 29.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' C ' ' A' ' 34' ' ' ARG . 1.6 tpt85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.43 HG12 ' SG ' ' A' ' 15' ' ' CYS . 1.5 t -134.23 138.23 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.44 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 2.1 mmp_? -81.85 173.21 12.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.925 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -64.48 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -86.6 45.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -138.07 105.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.199 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -40.98 149.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.923 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -120.0 -1.08 10.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 108.355 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.1 pp -55.85 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.28 20.23 33.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.83 158.3 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.357 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.89 -20.32 3.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.38 155.38 36.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.44 31.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -86.32 124.59 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 108.226 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -28.96 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.928 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 16.8 m-20 -85.22 120.24 73.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 -31.38 6.49 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.54 35.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' CYS . . . -112.37 147.47 36.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -132.79 110.22 10.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -57.72 85.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 108.247 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.9 t80 -93.55 140.87 29.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.9 m -124.37 126.62 46.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 1.8 tpp180 -74.74 -63.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.98 -155.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -63.24 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -145.81 77.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.56 -71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.11 101.69 13.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' SER . 6.3 t -145.93 114.18 6.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 108.292 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -146.13 178.11 8.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 1.3 m -81.14 116.2 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.32 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 179.965 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.624 HG12 ' SG ' ' A' ' 33' ' ' CYS . 16.8 t -105.09 134.47 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.522 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -85.71 158.58 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -46.78 -39.71 12.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.68 46.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.615 ' CB ' HG13 ' A' ' 2' ' ' VAL . 58.8 mt-10 -144.51 108.27 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -44.61 155.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.936 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.511 ' CB ' ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -117.29 -4.05 11.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' CYS . 19.7 mt -39.27 112.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.07 52.34 10.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.409 1.068 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG2' ' CB ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -89.88 171.35 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -133.74 -2.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -114.25 147.15 37.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.05 27.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -72.01 114.39 10.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.397 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -55.89 -28.84 58.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.639 1.212 . . . . 0.0 108.334 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -66.61 158.71 78.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 -84.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.34 48.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -96.4 153.73 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -143.77 126.34 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 35.0 t -59.03 88.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.9 t80 -93.76 137.58 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -127.04 122.55 34.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 108.325 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -64.67 -28.41 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.13 -166.28 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.39 -50.42 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -147.64 75.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.66 -52.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 10.0 m-85 -133.53 114.27 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.1 t -148.81 114.54 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.05 178.47 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG12 ' A' ' 2' ' ' VAL . 35.2 m -75.64 137.11 40.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.449 1.093 . . . . 0.0 108.366 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.788 HG21 ' NE2' ' A' ' 11' ' ' GLN . 7.2 t -135.34 116.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.536 HH21 ' N ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -80.3 166.9 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -53.33 -38.23 63.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.38 45.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.612 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' SER . 11.0 mt-10 -139.97 110.9 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.45 157.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.379 1.049 . . . . 0.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 3.8 t -128.13 5.35 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.62 HD22 ' OD1' ' A' ' 28' ' ' ASN . 50.0 mt -40.45 114.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LEU . . . 35.22 51.37 0.92 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.788 ' NE2' HG21 ' A' ' 2' ' ' VAL . 2.6 pt20 -74.87 164.71 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.66 -2.97 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.04 156.63 40.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.13 168.48 24.66 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.571 1.827 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HG12 ' A' ' 2' ' ' VAL . 1.4 m -98.7 126.13 44.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.59 -41.17 69.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 108.335 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.536 ' N ' HH21 ' A' ' 3' ' ' ARG . 12.9 m-20 -79.77 124.47 83.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.72 7.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.82 30.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -115.86 123.43 48.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' TYR . 17.4 p -111.98 126.65 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.31 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.6 t80 -109.37 146.99 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -127.07 -149.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.3 tpp180 -163.62 -64.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -155.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.7 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.62 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.6 t-20 -148.13 77.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 -75.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 12.5 m-85 -84.06 93.31 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 4.6 t -148.32 112.1 5.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.79 -163.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -98.25 119.47 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.551 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -99.36 149.17 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -85.32 167.17 15.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.373 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -57.08 -53.16 61.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.6 1.187 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -84.28 46.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.15 103.75 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -41.31 148.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.948 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -116.83 3.24 12.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.357 1.035 . . . . 0.0 108.302 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 29' ' ' ALA . 2.1 pp -61.44 101.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.4 28.74 26.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.551 ' NE2' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -95.08 170.23 9.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.606 0.827 . . . . 0.0 110.27 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -2.63 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -113.06 148.42 39.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.401 179.944 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.561 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 71.8 m -82.61 113.88 20.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.234 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CA ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -49.62 -26.35 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' CG ' ' NH2' ' A' ' 3' ' ' ARG . 7.9 m-20 -92.83 140.33 23.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -33.97 4.27 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.71 38.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -123.71 136.51 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -129.34 115.39 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.455 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 43.5 t -53.95 88.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 t80 -101.08 141.4 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -122.34 -152.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.353 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 2.1 tpp180 -162.51 -63.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.51 -154.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -64.31 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.22 78.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -156.07 -76.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.7 m-85 -84.04 95.86 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' SER . 4.4 t -149.62 111.78 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -147.45 177.83 8.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 2' ' ' VAL . 10.1 m -83.35 106.26 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.949 . . . . . . . . 2 2 . 1 stop_ save_