data_1vb7_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 1vb7 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.65 156.76 27.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 47.6 m -109.33 161.62 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.05 155.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.81 91.71 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.28 155.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.02 166.46 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.55 -174.16 20.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.84 5.99 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.041 0.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -63.27 164.21 15.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.39 39.23 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.987 -2.506 . . . . 0.0 110.993 -0.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.46 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 53.9 m95 -91.06 -51.65 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 28.11 4.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 10.0 p90 -144.61 153.44 41.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -113.64 172.78 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 pt -143.7 172.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -150.9 176.34 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.86 -142.0 44.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 110.51 162.99 18.66 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 3.1 tpm_? -45.71 -33.37 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.62 -50.92 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.55 6.31 41.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 m170 58.47 30.05 19.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.23 160.94 57.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.74 29.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.5 99.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.5 mt -109.3 146.75 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' VAL . 98.3 t -81.0 134.87 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 6.7 p -96.26 -51.7 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 161.4 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 34' ' ' VAL . 72.4 t -143.5 97.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.44 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -43.23 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.41 -51.96 24.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 173.86 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -98.59 130.55 45.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.03 161.21 63.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.26 9.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.75 -30.12 6.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 11.5 m-20 -49.62 127.32 15.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.766 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 87.4 mt -87.31 112.39 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.01 110.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.89 -48.14 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.49 177.56 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 50.6 mt -132.96 101.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 71.82 6.5 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.67 5.56 13.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 57' ' ' ILE . 1.7 tt0 -109.84 117.57 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -38.77 140.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.25 10.15 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.92 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -116.94 63.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 27.4 mtt -123.06 123.03 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.58 150.94 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -52.58 -23.08 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.41 -27.13 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.46 -58.71 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.4 74.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.09 -62.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -55.21 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' SER . 42.6 mt -55.14 -62.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -43.45 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.68 36.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 74' ' ' ILE . 3.3 t -115.24 117.65 31.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.17 168.38 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 3.7 p -101.23 141.63 23.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 161.58 94.56 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.02 -2.491 . . . . 0.0 111.026 -0.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 18' ' ' TRP . 1.1 tp -105.7 108.06 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 mtm180 -77.24 133.02 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.4 mt -140.64 119.18 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -86.15 114.94 23.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.71 141.75 34.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 101.4 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -109.03 104.65 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.3 156.46 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 84.8 m -107.15 161.69 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 11' ' ' ASP . 7.2 p -137.25 149.56 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -117.21 88.99 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.64 150.23 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.96 164.61 13.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 -168.8 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.15 4.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.005 -0.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -66.53 164.39 32.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.94 173.92 55.31 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.054 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -87.44 -63.49 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 113.01 36.26 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -144.94 151.8 39.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 0.803 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -114.74 171.58 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.6 pt -142.81 169.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -146.12 178.6 8.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.29 -140.37 48.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.51 159.51 15.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -43.16 -38.6 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -54.57 -54.22 44.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -84.72 6.53 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 58.76 31.49 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -129.04 159.82 66.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.77 29.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.74 106.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -116.45 145.14 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 37' ' ' VAL . 90.4 t -80.58 135.55 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 43.7 p -99.36 -48.42 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 158.15 33.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 34' ' ' VAL . 37.9 t -142.57 102.66 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 53.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.98 -49.42 20.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 17.8 t0 -172.63 34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -90.76 125.44 35.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.64 158.74 63.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.43 -17.11 12.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.41 124.01 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 HG12 ' CG1' ' A' ' 33' ' ' ILE . 86.7 mt -81.59 112.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.93 110.78 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 t -78.32 -47.76 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.67 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' GLN . 72.4 mt -131.39 102.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t-20 71.91 8.09 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.91 1.88 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -105.1 117.55 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.2 m -38.74 142.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.78 2.83 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -34.93 66.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -121.82 62.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 26' ' ' ARG . 25.5 mtt -121.53 130.17 53.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt -71.99 149.98 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.25 -21.31 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -24.11 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.8 mm-40 -71.69 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' O ' ' CG1' ' A' ' 74' ' ' ILE . . . -53.19 -35.63 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -63.94 -46.47 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.8 t -67.46 -62.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.08 -57.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 77' ' ' SER . 66.4 mt -49.76 -65.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -57.98 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -53.5 141.78 24.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.88 -170.77 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 2.1 p -112.87 137.22 21.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 161.34 95.02 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.957 -2.518 . . . . 0.0 110.967 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 77' ' ' SER . 2.3 tp -105.01 106.93 17.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.0 mtm105 -78.77 128.36 33.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.2 mt -138.74 121.05 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.05 116.7 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.62 143.33 32.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.19 100.96 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -108.44 102.52 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.05 157.08 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 56.2 m -113.74 156.54 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 11.2 p -129.68 155.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.65 102.32 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.52 110.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.5 109.11 6.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -60.15 -162.64 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.96 -162.06 2.67 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.98 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.55 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -96.22 166.04 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.02 175.83 46.15 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.935 -2.527 . . . . 0.0 111.03 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 20.2 m95 -83.78 -55.22 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.41 35.75 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 6.9 p90 -144.72 146.48 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.09 -177.37 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.8 pt -147.7 167.39 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.55 178.87 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.99 -132.96 45.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.55 -178.78 18.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 65' ' ' MET . 4.0 tpt180 -67.04 -36.17 81.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -40.45 96.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -88.47 4.48 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.17 33.23 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p -134.85 161.61 62.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.12 27.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.24 108.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -118.72 145.07 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 37' ' ' VAL . 88.7 t -78.95 140.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 23.1 p -106.02 -50.29 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.46 155.47 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 34' ' ' VAL . 73.7 t -143.61 99.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -44.34 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.32 -48.64 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -73.12 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.72 35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.4 tp -86.88 126.66 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 156.85 74.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 121.28 -25.48 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 128.83 37.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 33' ' ' ILE . 69.1 mt -84.67 114.77 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.06 115.02 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.2 t -85.84 -45.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.6 175.08 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.464 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 67.2 mt -135.02 101.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 2.1 t-20 79.08 0.09 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.07 -9.6 8.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -96.08 128.89 43.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 150.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -130.99 12.28 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -39.4 85.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -114.68 46.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 9.0 mtt -105.21 122.75 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -66.67 152.03 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -53.46 -22.21 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.1 -25.93 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 3.1 mm-40 -69.16 -56.83 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . . . -62.6 -31.66 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -72.43 -38.65 68.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 t -78.39 -42.75 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -59.64 -56.16 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 77' ' ' SER . 16.1 mt -50.16 -53.33 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -52.92 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.87 -12.48 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -64.3 119.87 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 170.53 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 88.2 p -97.2 138.99 21.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.24 95.23 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.016 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -105.99 113.44 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -93.19 141.01 28.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 81' ' ' LEU . 90.1 mt -141.07 119.26 12.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -85.76 109.05 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 mt -96.74 148.39 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.14 101.2 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -112.8 102.35 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -113.89 156.57 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 93.4 m -108.83 159.52 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 5.7 p -130.09 148.36 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.42 88.6 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.529 HG12 ' CE3' ' A' ' 18' ' ' TRP . 73.0 t -66.55 147.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.7 96.59 6.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.09 -160.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -161.81 2.59 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.022 -0.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -88.92 164.3 31.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.93 175.72 46.54 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.023 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 31.9 m95 -83.78 -52.15 6.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.37 29.96 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.9 p90 -137.75 148.49 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -113.14 174.89 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 pt -143.07 170.92 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -144.16 -178.7 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.79 -139.13 46.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.26 159.85 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -47.45 -31.63 4.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -92.87 8.33 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m170 59.15 29.03 18.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -127.54 160.08 62.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.76 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -68.62 101.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG1' HG12 ' A' ' 53' ' ' ILE . 3.9 mt -110.78 146.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' CG2' ' A' ' 37' ' ' VAL . 93.5 t -79.18 137.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 76.7 p -99.92 -52.45 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 159.19 30.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 34' ' ' VAL . 64.7 t -143.81 97.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.34 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 10' ' ' VAL . . . -70.82 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.4 34.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 24.0 tp -89.85 132.49 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -134.84 159.41 72.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.37 -25.14 9.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.25 126.49 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.796 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 33' ' ' ILE . 93.0 mt -84.05 110.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.17 110.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.3 t -78.26 -47.75 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.13 172.83 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -131.82 101.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 t-20 71.59 8.36 6.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 -11.29 12.79 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.474 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -92.75 120.11 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -39.94 145.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.03 6.27 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -42.85 96.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -114.75 55.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.474 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 14.9 mtt -114.43 123.55 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -69.48 153.23 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.02 -22.97 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.22 -26.94 18.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.3 mm-40 -69.94 -58.09 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -68.49 -47.69 66.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.9 t -63.36 -57.42 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -46.93 -58.67 3.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 77' ' ' SER . 7.0 mt -47.73 -56.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -52.61 -54.88 27.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.73 -7.93 31.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -75.8 134.55 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.96 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.79 -171.55 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 23.0 t -111.46 139.72 22.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 160.96 95.78 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.016 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.521 HD21 ' CE2' ' A' ' 18' ' ' TRP . 5.7 tp -109.17 107.79 18.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 3.0 ttp180 -80.65 130.71 35.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.68 118.84 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' VAL . 15.8 tt0 -86.16 116.37 24.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.28 143.57 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.11 101.14 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -108.88 104.21 13.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.28 157.02 25.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 83.4 m -110.18 156.96 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' CG2' ' HB1' ' A' ' 46' ' ' ALA . 2.6 p -124.41 146.44 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -116.25 89.54 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 HG11 ' CE3' ' A' ' 18' ' ' TRP . 61.1 t -66.72 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.83 94.33 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.35 -159.88 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.07 2.67 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -89.52 164.46 29.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.0 168.0 78.75 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.526 ' CE2' HD23 ' A' ' 81' ' ' LEU . 23.2 m95 -77.31 -61.09 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 114.95 30.07 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -135.26 149.03 49.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -110.93 175.74 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 pt -144.85 170.01 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -143.75 179.36 7.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.06 -146.54 35.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 118.64 162.77 12.27 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.2 tpm_? -46.02 -36.54 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.95 89.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' GLY . 98.0 m-85 -94.81 0.19 54.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.4 m170 63.92 19.4 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -117.28 161.08 34.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.98 27.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.22 108.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -117.97 146.01 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 37' ' ' VAL . 89.1 t -79.41 135.9 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 20.0 p -99.96 -50.5 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.82 33.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' CG2' HG11 ' A' ' 34' ' ' VAL . 50.9 t -143.11 101.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 14.1 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.37 -46.51 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.06 -44.55 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' CG2' ' A' ' 10' ' ' VAL . . . -74.75 -94.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -170.48 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 tp -88.4 129.77 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -131.81 158.71 74.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.74 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 118.07 -21.28 10.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 121.07 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.478 HG12 ' CG1' ' A' ' 33' ' ' ILE . 67.4 mt -78.43 110.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.29 109.83 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.4 t -76.84 -48.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.77 175.73 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 64.3 mt -135.62 101.76 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER 76.64 7.17 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.65 22.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.24 125.9 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -39.41 144.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -123.33 4.11 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -40.11 86.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -114.34 61.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.425 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 23.9 mtt -121.56 122.15 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.1 mt -69.24 151.47 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -52.41 -23.11 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.64 -25.91 18.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' LEU . 4.1 mm-40 -72.01 -61.15 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.28 -32.43 66.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -67.75 -45.21 75.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.8 t -67.72 -56.67 8.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -44.29 -57.86 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.25 -55.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -43.0 75.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.95 -6.89 53.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -80.83 137.03 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.09 -166.06 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 94.2 p -116.43 139.33 25.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.65 94.42 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.026 -0.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 ' CE2' ' A' ' 18' ' ' TRP . 3.2 tp -107.06 115.68 30.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.4 ttm180 -89.04 126.65 35.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.5 mt -136.46 120.96 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' VAL . 11.5 tt0 -87.31 114.22 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -99.96 141.24 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.68 101.08 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.14 105.62 15.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.51 157.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 41.6 m -117.69 160.2 21.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 85' ' ' LEU . 13.1 t -115.71 153.43 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.73 89.71 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 81' ' ' LEU . 2.8 t -82.38 155.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.7 101.08 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.62 -171.62 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.91 5.22 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.958 0.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -86.33 164.97 35.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.0 179.33 31.02 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.016 0.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 34.8 m95 -88.32 -53.26 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 107.986 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.96 32.3 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.5 p90 -144.82 149.24 35.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -109.9 -177.28 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.3 pt -149.91 172.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 8.1 t -144.11 -178.01 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.31 -134.01 45.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.93 -177.78 17.98 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -67.1 -36.75 82.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -60.54 -39.47 88.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.34 11.91 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 51.34 21.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.569 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -117.29 158.57 44.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.92 28.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.8 mm -66.24 105.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.19 145.56 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' VAL . 93.3 t -78.93 135.88 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 38.4 p -98.19 -51.09 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 159.78 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 34' ' ' VAL . 94.6 t -142.73 112.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -43.14 -29.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.19 -55.1 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -60.19 -72.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER 163.36 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.7 tp -105.66 129.21 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -127.34 156.01 75.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.62 6.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -30.21 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.01 140.97 19.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.7 mt -97.13 117.69 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -74.29 111.21 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.4 t -79.63 -46.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.79 178.41 7.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 68.4 mt -135.52 103.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 1.2 m120 78.6 3.36 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.04 -3.91 16.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.3 130.94 46.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -39.53 147.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -132.55 11.29 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.62 88.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -108.4 59.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtt -117.89 113.05 21.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' GLU . 1.8 mt -58.16 150.01 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.3 t60 -51.23 -22.69 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.2 -28.33 17.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' LEU . 3.8 mm-40 -69.38 -57.28 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' CB ' HD13 ' A' ' 32' ' ' ILE . . . -62.72 -29.11 70.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 9.7 mm-40 -74.41 -39.61 62.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 40.2 t -74.08 -46.71 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.11 -53.47 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 mt -56.95 -43.83 81.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -74.14 -12.92 60.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' SER . 5.5 mm-40 -110.97 4.37 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -77.45 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.8 160.7 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 24.8 t -90.98 135.7 28.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 161.82 94.08 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.03 -0.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -98.62 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 6.5 mtt180 -86.42 139.68 30.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD1' HD12 ' A' ' 81' ' ' LEU . 86.5 mt -141.94 118.74 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -85.86 111.06 19.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 10' ' ' VAL . 12.1 mt -98.7 150.85 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.76 100.7 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.13 104.23 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.94 157.3 23.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 46.7 m -114.89 161.93 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.457 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 9.9 t -122.18 148.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 88.07 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.47 156.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.89 97.94 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.48 -168.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.36 4.12 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.011 0.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -89.79 165.89 23.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.09 40.56 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CE2' HD22 ' A' ' 81' ' ' LEU . 33.8 m95 -85.69 -60.0 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.9 37.8 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 5.1 p90 -144.3 152.34 40.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.7 mtt180 -112.93 -177.53 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' A' ' 21' ' ' ARG . 12.0 pt -153.87 168.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.71 178.91 7.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.47 -138.52 48.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.75 179.19 19.59 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.09 -36.67 82.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.83 -39.32 91.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -95.7 12.05 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 50.45 25.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.6 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.4 p -123.44 159.68 53.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.24 30.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 54' ' ' ILE . 3.1 mm -66.33 104.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.58 145.18 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' CG2' ' A' ' 37' ' ' VAL . 79.9 t -80.85 138.57 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 81.3 p -102.84 -49.38 3.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 157.07 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' HG12 ' A' ' 34' ' ' VAL . 28.7 t -143.7 103.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 17.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -40.22 -40.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.56 -48.34 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.34 -78.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 171.82 41.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 43' ' ' ALA . 22.3 tp -92.57 141.06 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -141.46 157.38 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.52 -27.75 5.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -55.06 124.08 15.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.236 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -80.86 111.94 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 32' ' ' ILE . 10.9 mt -71.05 109.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.87 -49.39 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.68 173.24 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 63.0 mt -130.44 101.25 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 t-20 72.98 7.89 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.5 -10.94 12.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.7 OUTLIER -92.73 118.69 31.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.55 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.97 4.38 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.12 70.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.468 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 6.3 m-20 -122.19 58.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.43 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 24.7 mtt -119.22 121.91 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.1 mt -68.03 151.0 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.81 -21.94 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.65 -25.98 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 2.1 mm-40 -69.63 -57.55 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' CB ' HD13 ' A' ' 32' ' ' ILE . . . -58.8 -40.35 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.2 -47.33 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 18.7 t -66.24 -60.53 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -58.05 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.8 -49.67 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -63.64 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' SER . 7.6 mt-30 -102.34 10.86 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.43 ' OG ' ' ND2' ' A' ' 58' ' ' ASN . 4.5 t -93.79 134.76 35.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.44 -159.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 11.5 p -129.48 139.97 37.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.01 161.19 95.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.975 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 18' ' ' TRP . 2.5 tp -105.25 116.55 32.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -86.38 129.66 34.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' VAL . 77.0 mt -134.96 123.08 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -91.12 122.58 33.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD1' ' CG2' ' A' ' 10' ' ' VAL . 17.3 mt -110.44 140.08 45.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.3 100.94 12.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.61 101.2 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.81 157.62 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.0 m -114.41 161.73 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 10.9 t -122.05 148.85 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.74 88.07 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.54 156.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.78 88.96 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.24 -160.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -165.36 4.1 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 -0.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -77.56 165.56 50.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 170.56 71.51 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.465 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 54.0 m95 -85.22 -61.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' THR . . . 115.2 35.04 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 16.5 p90 -144.84 151.51 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -115.46 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 pt -136.36 174.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 2.7 t -151.2 -176.97 5.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.47 -137.18 45.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.48 175.09 19.56 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -59.1 -34.22 71.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.18 -46.45 87.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -87.05 9.65 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 54.62 28.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.581 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.3 p -128.78 160.51 62.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.53 30.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 HD12 ' CB ' ' A' ' 70' ' ' ALA . 2.7 mm -66.52 101.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.3 mt -110.88 150.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG13 ' CG2' ' A' ' 37' ' ' VAL . 99.5 t -87.76 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 5.5 p -90.05 -50.62 5.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 164.15 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' HG13 ' A' ' 34' ' ' VAL . 88.1 t -143.68 96.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLY . 22.4 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -46.0 -37.9 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 -44.95 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.53 -79.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 41.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 20' ' ' PHE . 59.6 tp -91.23 132.45 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.33 158.73 74.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.95 9.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.69 -14.63 12.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.6 124.53 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 33' ' ' ILE . 75.5 mt -82.67 113.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.76 111.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.3 t -80.13 -49.1 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.44 170.06 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 55.5 mt -130.06 101.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.573 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.1 t-20 72.83 7.14 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.59 -13.76 10.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.1 tp60 -91.43 120.87 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.64 147.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -126.53 12.49 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.94 -34.11 75.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -123.16 47.33 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 13.5 mtt -106.75 106.28 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 mt -51.12 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -63.02 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -21.98 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 11.3 mm-40 -70.73 -59.39 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.418 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -57.62 -39.27 76.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -61.96 -53.03 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -55.71 -58.08 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -56.35 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mt -51.76 -41.82 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -39.08 92.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -99.44 36.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.573 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -109.93 127.73 54.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.05 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 98.6 p -111.62 140.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 161.52 94.67 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.989 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD23 ' CE2' ' A' ' 18' ' ' TRP . 5.1 tp -105.53 100.27 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.6 ttm180 -71.0 133.9 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' VAL . 84.3 mt -138.69 119.33 14.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -90.94 114.6 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' CD1' ' CG2' ' A' ' 10' ' ' VAL . 9.3 mt -101.0 142.17 32.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.72 100.83 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.68 106.42 11.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.55 156.31 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 31.8 m -106.86 161.52 14.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 11' ' ' ASP . 7.7 p -136.75 146.02 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -112.43 109.9 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 28.2 t -107.22 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.83 106.95 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -87.84 -104.44 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.01 177.12 40.48 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HA ' ' C ' ' A' ' 17' ' ' PRO . . . -39.46 158.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.09 168.89 76.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.934 -2.527 . . . . 0.0 110.982 0.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 81' ' ' LEU . 58.4 m95 -94.61 -67.92 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 117.56 37.76 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -140.55 151.37 44.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -115.83 167.17 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 pt -134.51 173.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -146.34 179.52 7.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.33 -131.01 51.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 105.43 169.69 23.79 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' CD ' ' HB3' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -54.25 -38.37 65.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.83 -45.66 85.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -90.89 12.31 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.2 m170 52.69 30.27 8.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.5 p -129.13 159.72 67.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.13 29.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.757 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.34 102.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -111.61 145.84 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 37' ' ' VAL . 89.0 t -79.06 134.98 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.8 p -97.49 -50.86 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 160.43 31.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 34' ' ' VAL . 74.3 t -143.35 105.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 8.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -44.05 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.47 -51.18 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.0 38.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -95.89 127.82 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 157.93 67.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.77 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.24 -28.31 7.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.133 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.78 128.94 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 HG12 ' CG1' ' A' ' 33' ' ' ILE . 70.5 mt -85.69 113.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.1 mt -70.13 111.38 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -79.24 -48.87 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.6 172.38 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.9 mt -131.81 101.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 71.59 8.61 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 -10.69 13.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.18 119.32 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 0.804 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.71 144.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.78 10.9 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.74 79.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' HB3' ' CD ' ' A' ' 26' ' ' ARG . 69.0 m-80 -123.22 57.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.7 mtt -113.14 124.89 53.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 2.0 mt -65.8 151.2 47.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.11 -24.56 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.38 -27.05 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 4.7 mm-40 -68.48 -54.86 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -64.95 -48.43 74.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' GLN . 25.3 t -60.86 -58.14 9.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.06 -57.02 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.17 -54.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -59.71 -18.54 43.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' SER . 4.0 mm-40 -114.58 24.46 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.436 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -101.38 123.91 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.13 176.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.6 p -106.73 140.05 20.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.54 94.63 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.01 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.568 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 4.9 tp -111.0 104.42 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -79.55 128.33 33.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.86 122.13 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -86.09 121.52 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.37 139.17 43.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.09 101.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.58 106.11 16.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -106.9 157.67 17.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.6 m -118.99 152.02 37.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 7.2 p -116.63 155.77 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.87 94.91 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.39 155.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.13 99.0 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.92 -164.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.424 1.077 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.98 2.95 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.992 -0.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -93.36 166.26 16.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.99 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 24.2 m95 -79.58 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.61 38.32 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 13.4 p90 -145.28 145.23 31.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 17.8 mtt180 -101.5 -177.69 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 21' ' ' ARG . 7.0 pt -154.49 174.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.97 177.22 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.84 -144.84 49.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.96 156.63 12.46 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.5 tpm_? -39.32 -35.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -55.38 -58.24 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -84.72 12.8 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 m170 53.25 29.85 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.2 p -124.71 159.26 59.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HD12 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mm -66.13 101.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.0 mt -109.57 146.47 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.502 ' CG1' HG11 ' A' ' 37' ' ' VAL . 72.6 t -83.43 124.09 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -79.61 -56.92 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.15 145.94 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.502 HG11 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -124.77 129.34 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.366 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -47.25 84.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.43 -38.19 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.55 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.49 29.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.3 152.7 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -160.95 158.6 24.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 18.1 Cg_endo -75.04 129.32 12.2 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.88 -4.52 25.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' CB ' HD13 ' A' ' 85' ' ' LEU . 8.6 m-20 -83.71 125.79 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 83.2 mt -82.96 111.36 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.09 109.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.74 -48.58 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.15 173.29 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.2 mt -133.84 101.35 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 72.94 11.97 5.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.09 -6.15 27.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -98.39 118.44 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.63 148.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 7.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.19 69.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 3.5 p30 -123.35 60.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 28.6 mtt -121.4 120.31 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.5 mt -67.79 153.5 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.01 -21.44 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.56 -27.41 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 2.9 mm-40 -68.37 -56.84 7.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -60.9 -38.72 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.25 -42.82 99.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.2 t -69.32 -54.69 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -57.47 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.8 mt -53.52 -44.07 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -66.16 -29.22 69.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.8 mt-30 -109.75 39.88 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.85 126.37 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.86 157.91 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 39.8 t -93.03 143.7 27.2 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.95 161.77 94.17 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 18' ' ' TRP . 3.0 tp -104.49 110.48 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.2 ttm180 -88.5 117.14 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 47.6 mt -123.07 118.17 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -86.35 114.52 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' CB ' ' A' ' 52' ' ' ASP . 15.9 mt -101.61 143.68 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.23 101.24 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -111.64 103.93 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.85 156.8 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.1 m -110.65 161.64 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 13.5 p -136.63 155.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -121.8 96.56 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 25.1 t -90.64 99.29 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.61 102.8 15.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -85.39 -105.61 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.482 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 179.02 32.1 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.004 -0.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HA ' ' C ' ' A' ' 17' ' ' PRO . . . -38.93 157.45 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 171.74 66.56 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.037 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 81' ' ' LEU . 59.9 m95 -97.87 -66.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.24 42.77 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 19.9 p90 -145.15 150.29 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -113.37 166.54 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.18 166.65 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.21 176.86 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.981 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.69 -134.05 49.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 109.31 166.34 20.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 1.3 tpm_? -51.04 -39.91 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 0.735 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -49.51 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -86.23 10.29 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.91 21.2 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.6 p -119.64 159.02 47.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 145.48 31.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.62 102.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -111.84 145.95 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.436 HG13 ' CG2' ' A' ' 37' ' ' VAL . 84.0 t -79.85 141.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.2 p -106.09 -50.53 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.35 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.436 ' CG2' HG13 ' A' ' 34' ' ' VAL . 76.3 t -141.09 101.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ALA . 8.4 tm-20 -38.81 -44.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.85 -50.73 10.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -67.98 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 176.69 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.0 tp -95.06 126.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -126.17 158.77 65.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.25 -26.33 8.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.01 129.53 38.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.6 mt -87.17 111.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.91 109.83 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.3 t -76.74 -47.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.91 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 68.0 mt -128.62 102.5 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 73.54 5.46 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.52 -4.53 13.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -100.08 117.54 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 143.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.98 2.8 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -26.6 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 4.1 p30 -127.26 53.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 24.9 mtt -116.6 122.11 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -68.45 152.14 45.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -53.18 -21.3 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.06 -27.49 16.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.4 mm-40 -70.15 -59.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -66.82 -46.41 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -64.11 -58.5 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -58.62 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.1 mt -50.33 -49.74 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.46 78.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -97.24 24.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.442 ' OG ' ' CD1' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -99.05 121.52 41.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 172.04 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 29.2 t -101.7 139.97 20.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.01 161.39 94.94 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.959 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.571 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 7.6 tp -110.08 103.63 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 ttt180 -78.02 133.94 37.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 78.6 mt -140.72 120.64 13.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' VAL . 18.8 tt0 -87.26 118.46 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.57 143.59 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.82 100.81 11.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -110.75 104.93 13.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.97 156.65 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 92.8 m -111.42 161.48 16.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 12.6 p -128.37 155.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.78 93.34 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -76.91 156.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.2 106.54 14.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.8 -167.18 7.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.7 3.72 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.008 -0.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -84.97 164.95 39.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.5 Cg_endo -74.99 168.36 77.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.057 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CE2' ' CD2' ' A' ' 81' ' ' LEU . 39.2 m95 -79.14 -49.57 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.36 15.79 7.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.2 p90 -132.89 146.51 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 -177.2 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 pt -149.28 173.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -150.83 176.74 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.17 -140.24 46.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 116.48 -173.68 14.84 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.44 HH21 ' CE1' ' A' ' 29' ' ' HIS . 5.1 tpt180 -67.7 -34.81 77.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.43 -53.66 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -82.12 8.23 11.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CE1' HH21 ' A' ' 26' ' ' ARG . 12.0 m170 54.68 31.64 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.98 158.62 70.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.87 30.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.2 110.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.487 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.1 mt -117.45 148.88 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 50' ' ' PRO . 70.7 t -82.74 126.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 29.3 p -84.97 -54.74 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 149.8 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.28 134.56 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' CB ' HG23 ' A' ' 37' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.64 -51.22 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -46.86 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 10' ' ' VAL . . . -65.82 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -172.6 35.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 20' ' ' PHE . 16.8 tp -99.27 147.22 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -155.15 157.27 31.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.99 122.86 7.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.24 -13.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.41 135.69 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.487 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.4 mt -92.39 112.4 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.86 111.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.3 t -78.25 -47.54 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.33 175.82 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.483 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 53.8 mt -131.05 101.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 70.0 9.07 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.8 -5.32 18.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -97.75 119.09 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 4.6 p -38.7 147.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.04 5.0 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.9 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -127.76 54.22 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.483 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 20.4 mtt -114.21 117.43 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.6 mt -64.12 151.07 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.2 t60 -51.89 -22.42 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.46 -27.25 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 3.2 mm-40 -70.29 -58.28 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.76 78.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 8.6 mm-40 -62.42 -50.99 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t -65.96 -55.99 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -46.34 -56.77 5.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' SER . 11.5 mt -50.47 -60.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.23 -56.81 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.91 -14.2 20.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.4 OUTLIER -68.57 125.08 25.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.02 -176.01 4.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 78.3 p -109.7 140.7 22.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.26 95.2 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.949 0.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' CD2' ' CE2' ' A' ' 18' ' ' TRP . 9.4 tp -106.83 111.87 24.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 mtm180 -87.95 134.79 33.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 82.9 mt -140.91 118.94 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 55' ' ' VAL . 20.8 tt0 -85.96 117.14 24.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -103.13 147.17 27.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.4 100.88 11.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.54 105.83 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.32 157.57 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.7 m -113.71 161.82 17.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 85' ' ' LEU . 15.5 t -121.28 154.62 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.21 88.26 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 29.8 t -74.98 140.71 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . -107.95 93.48 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.11 -163.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.38 2.77 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.002 -0.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -85.64 165.94 32.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 178.6 33.98 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.021 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.477 ' CE2' HD23 ' A' ' 81' ' ' LEU . 40.2 m95 -87.19 -61.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 112.92 36.95 1.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 11.0 p90 -144.62 151.04 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -115.89 167.83 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 pt -136.19 174.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.75 -179.42 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.53 -133.27 49.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.99 177.03 20.53 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -59.87 -54.84 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -80.1 5.11 15.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.8 m170 60.74 30.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 p -128.25 160.23 63.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.01 29.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.745 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.7 104.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -113.72 148.46 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 37' ' ' VAL . 87.2 t -82.75 131.07 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 2.3 p -91.6 -50.94 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.07 161.84 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' HG13 ' A' ' 34' ' ' VAL . 79.2 t -143.56 102.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 43.6 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -45.52 46.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.53 -37.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.65 -96.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.03 32.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.6 tp -85.39 128.4 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.41 158.75 68.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.39 8.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 -26.56 9.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.3 121.43 8.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 33' ' ' ILE . 84.2 mt -80.21 109.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.12 111.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.4 t -77.96 -48.18 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.32 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 51.4 mt -129.04 101.6 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.599 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.2 m-20 70.75 7.73 6.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.93 -13.1 10.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -89.79 118.3 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -39.98 140.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.03 0.07 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -41.22 76.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -114.43 48.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.413 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 10.5 mtt -108.89 125.91 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -69.77 155.58 40.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.84 -21.16 27.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.648 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.94 -24.34 17.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 2.6 mm-40 -70.61 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.99 64.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -73.99 -43.96 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 t -67.03 -55.36 14.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.41 -57.24 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -51.67 -52.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -61.95 -19.17 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -117.05 32.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.599 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -108.07 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.22 171.15 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 5.5 t -106.9 139.09 20.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.99 161.2 95.34 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.989 0.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.477 HD23 ' CE2' ' A' ' 18' ' ' TRP . 0.8 OUTLIER -106.78 110.19 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.33 139.38 38.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.9 mt -142.14 116.5 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' VAL . 18.5 tt0 -87.16 109.8 19.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 10' ' ' VAL . 17.6 mt -95.61 146.98 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.28 101.23 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.97 105.6 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.52 156.95 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.467 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 65.7 m -110.72 161.91 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.47 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 10.2 t -122.72 155.74 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.33 88.46 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.7 t -77.7 132.72 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . -104.52 95.42 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.76 -161.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.4 2.47 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.035 -0.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -90.97 165.89 20.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.05 167.18 81.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.968 -2.514 . . . . 0.0 110.981 0.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.516 ' CE3' HG12 ' A' ' 12' ' ' VAL . 27.4 m95 -76.94 -65.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.93 36.36 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.7 p90 -144.33 150.86 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -114.49 170.29 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.63 167.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.3 -178.4 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' CA ' ' OG1' ' A' ' 30' ' ' THR . . . 55.79 -134.38 49.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.93 162.14 20.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -49.35 -34.15 15.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.83 -50.84 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -85.6 9.25 16.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 56.67 32.92 21.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' CA ' ' A' ' 24' ' ' GLY . 3.2 p -131.78 159.49 71.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.91 28.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 70' ' ' ALA . 2.5 mm -66.67 104.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -115.11 146.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 51' ' ' GLY . 92.5 t -81.69 135.1 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.3 p -101.13 -48.74 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -122.36 152.81 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' CG2' HG13 ' A' ' 34' ' ' VAL . 41.4 t -141.74 97.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -41.83 -50.83 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.53 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.23 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.81 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.5 tp -90.74 140.91 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.38 156.85 74.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 121.64 6.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.89 -19.1 11.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -61.78 125.17 22.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -81.33 110.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.1 108.89 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.5 t -76.53 -48.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.53 10.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 45.6 mt -131.55 101.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.585 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.1 t-20 72.3 7.88 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.52 -11.37 12.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -92.35 120.29 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.6 m -39.22 141.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.5 4.16 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.53 -34.2 70.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -122.87 58.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.414 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 20.8 mtt -116.36 123.54 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' GLU . 1.8 mt -68.92 150.23 47.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -51.01 -22.74 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.45 -29.0 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.8 mm-40 -69.69 -55.69 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 32' ' ' ILE . . . -62.13 -29.09 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -73.54 -44.61 57.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLN . 20.3 t -64.62 -55.28 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -58.95 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -49.15 -51.32 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -28.19 69.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.4 mt-30 -107.04 31.93 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.585 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -107.87 126.29 52.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.39 -178.11 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 74.2 p -117.06 140.65 27.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.0 Cg_endo -75.05 161.37 94.95 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.958 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.511 HD23 ' CE2' ' A' ' 18' ' ' TRP . 1.3 tp -104.1 110.38 22.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -80.7 135.68 36.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.8 mt -137.73 116.55 12.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' VAL . 17.7 tt0 -86.77 109.92 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.47 ' CD1' ' CG2' ' A' ' 10' ' ' VAL . 12.9 mt -97.25 145.59 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.38 100.76 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -114.54 105.81 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -104.58 157.21 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 94.7 m -116.11 158.35 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.462 ' CG2' ' HB1' ' A' ' 46' ' ' ALA . 3.3 p -131.53 148.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.49 93.08 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.7 t -72.99 136.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.18 109.7 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.08 -166.21 5.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -164.03 3.42 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 -0.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -87.64 166.2 26.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.96 177.51 38.72 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.041 -0.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 15.5 m95 -87.01 -59.42 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 107.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.28 39.95 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 2.1 p90 -144.42 152.46 40.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -115.11 -179.18 3.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.2 pt -148.23 172.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -142.06 177.91 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.37 -134.83 52.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.1 161.11 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -51.05 -34.6 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.13 -45.62 93.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -86.64 3.41 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m170 57.15 39.68 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -136.33 161.27 63.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.67 23.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.65 107.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.482 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.6 mt -115.22 144.88 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 37' ' ' VAL . 93.4 t -75.29 133.13 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.439 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 3.3 p -97.51 -48.97 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 154.42 45.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 34' ' ' VAL . 58.6 t -138.59 107.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.345 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -42.26 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.1 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 10' ' ' VAL . . . -67.54 -88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 178.45 38.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -96.14 139.23 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -138.99 158.73 69.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' HG22 ' A' ' 37' ' ' VAL . 18.4 Cg_endo -75.01 128.16 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 114.65 -23.64 11.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 68.3 m-20 -58.44 127.93 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 33' ' ' ILE . 61.1 mt -84.28 115.71 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.75 115.34 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -46.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.44 174.31 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLN . 60.7 mt -133.97 101.74 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 77' ' ' SER . 4.0 t-20 73.2 12.63 4.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.71 -10.48 27.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -93.75 120.71 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -39.38 139.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.983 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.19 7.66 11.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.35 -36.63 84.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -112.15 41.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 26.4 mtt -109.46 112.54 24.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.2 mt -60.92 157.02 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 19.9 t60 -57.27 -21.35 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.32 -23.46 18.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 28.6 mt-10 -72.65 -64.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . . . -57.35 -43.64 83.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 4.6 mm-40 -46.28 -52.76 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LYS . 14.4 t -73.4 -54.3 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.3 mmtt -38.45 -62.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -42.57 -58.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' LYS . 4.2 mt-30 -85.72 -4.24 59.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.418 ' OG ' ' ND2' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -77.11 126.16 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 160.72 31.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.4 p -90.96 135.66 28.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.04 161.94 93.82 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.993 0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HB2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -101.86 105.8 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ASN . 3.4 ttm180 -80.91 135.6 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 81' ' ' LEU . 61.2 mt -137.03 120.68 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -86.18 115.57 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.31 146.06 29.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.85 101.42 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -107.92 104.96 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.021 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.19 157.72 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 5.7 m -114.46 158.0 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.24 133.22 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.59 110.34 22.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -97.68 115.51 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 120.61 13.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -88.59 -165.04 40.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.97 -162.55 2.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.96 -0.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.577 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -80.67 167.26 33.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.577 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -74.98 179.03 32.08 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.034 -0.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CE2' ' CD2' ' A' ' 81' ' ' LEU . 33.5 m95 -91.64 -56.74 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.59 34.47 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.9 p90 -144.6 150.65 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 63.8 mtt180 -107.7 -177.78 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 21' ' ' ARG . 10.6 pt -153.04 169.42 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -145.49 -178.51 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.6 -138.24 46.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.45 178.46 17.56 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -68.41 -17.87 64.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.85 -45.75 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.25 10.93 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 59.51 24.21 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -122.34 158.45 55.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.03 36.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 HD11 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mm -70.3 100.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.463 ' CG1' HG12 ' A' ' 53' ' ' ILE . 3.8 mt -109.62 150.2 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 37' ' ' VAL . 92.5 t -84.52 138.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.5 p -102.19 -51.38 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 153.84 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 34' ' ' VAL . 78.0 t -137.39 110.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 24.3 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -40.0 -53.7 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.35 -48.42 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.97 35.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 20' ' ' PHE . 22.5 tp -101.0 129.35 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -131.27 163.16 51.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.453 ' CD ' HG21 ' A' ' 37' ' ' VAL . 18.4 Cg_endo -74.96 127.91 11.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -36.92 3.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -45.83 129.26 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.5 mt -88.06 111.82 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.18 107.28 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.7 t -78.2 -57.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.43 170.62 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.2 mt -131.81 103.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 m-20 69.36 20.43 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.66 -7.35 53.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.67 117.94 31.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -39.86 146.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -134.43 13.23 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -31.02 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -121.42 50.4 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.402 ' SD ' ' CB ' ' A' ' 62' ' ' ALA . 15.7 mtt -108.8 117.61 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.6 mt -63.41 159.32 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 18.9 t60 -58.71 -23.09 59.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.77 -23.25 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 2.9 mm-40 -72.02 -60.86 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' CB ' HD11 ' A' ' 32' ' ' ILE . . . -60.62 -37.99 83.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 9.0 mm100 -60.97 -43.22 99.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -72.33 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.3 mttp -57.37 -56.68 18.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 18' ' ' TRP . 6.3 mt -50.37 -45.33 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.34 -46.69 75.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -95.13 33.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -95.6 127.38 41.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 143.74 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 1.2 p -88.83 149.34 43.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -75.02 162.05 93.61 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.005 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 18' ' ' TRP . 18.9 tp -94.59 123.04 37.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' ASN . 4.6 ttm180 -117.46 96.89 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.523 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.06 124.45 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' VAL . 20.2 tt0 -85.65 105.44 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 8' ' ' LEU . 4.5 mt -88.63 146.73 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -102.38 100.57 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -118.44 106.36 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.64 157.0 24.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 81.8 m -110.43 161.31 15.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.42 150.87 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 98.5 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.531 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.3 t -96.62 106.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.39 105.27 17.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -84.93 -105.48 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.04 176.82 41.81 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.951 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HA ' ' C ' ' A' ' 17' ' ' PRO . . . -39.44 157.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 169.44 74.53 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.967 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.575 ' CH2' ' HB3' ' A' ' 81' ' ' LEU . 62.5 m95 -94.82 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.54 0.82 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 12.3 p90 -144.47 146.95 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -106.08 177.53 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.58 175.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.61 -179.54 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.6 47.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.94 157.53 14.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.37 -39.37 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.07 -55.04 31.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -83.64 13.08 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 m170 53.09 34.07 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 p -133.33 159.73 71.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 144.27 29.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.43 105.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.8 mt -112.43 145.98 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 37' ' ' VAL . 79.4 t -82.8 125.53 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 2.8 p -81.97 -56.29 4.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -150.04 145.63 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.505 HG11 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -125.54 123.2 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.75 -38.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.95 -53.81 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -170.39 33.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 27.1 tp -93.37 143.72 26.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.88 158.54 33.92 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 18.3 Cg_endo -75.0 129.61 12.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.41 -7.58 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 37.2 m-20 -81.61 131.03 35.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 60.4 mt -87.11 111.03 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.93 109.17 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.66 -48.32 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.92 169.14 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 78.8 mt -131.37 101.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.528 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.6 t-20 72.14 12.06 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.27 -11.14 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -94.07 117.39 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.91 144.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.18 9.6 11.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -37.02 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -120.94 56.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.468 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 19.4 mtt -115.49 121.53 42.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -67.59 150.86 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 11.1 t60 -51.72 -22.1 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.34 -28.5 16.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.9 mm-40 -69.18 -56.17 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.76 77.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 14.6 mm-40 -66.32 -43.01 87.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -55.8 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.15 -57.36 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.29 -43.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -43.63 95.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -89.5 19.99 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.528 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.1 OUTLIER -93.91 122.86 36.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.51 168.06 15.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 76.4 p -96.79 140.56 22.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.0 161.73 94.27 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.015 -0.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.575 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 9.7 tp -111.05 106.26 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -81.22 125.63 30.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.0 mt -131.63 117.45 18.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -86.36 115.27 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.62 144.29 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -99.34 101.14 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -108.41 103.55 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.59 157.31 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.473 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 26.1 m -119.8 159.57 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 2.4 p -129.65 153.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.01 96.72 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 t -81.31 123.88 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.37 116.59 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' PRO . . . -73.69 -167.51 14.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.02 -163.14 3.02 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.994 -0.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -83.55 166.41 34.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 177.82 37.37 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.988 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m95 -86.81 -51.71 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.06 33.5 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.6 p90 -144.61 149.42 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -112.44 -177.3 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 pt -148.02 165.71 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -138.55 -177.35 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.46 -134.26 38.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 110.18 159.11 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HD3' ' CA ' ' A' ' 64' ' ' ASN . 1.9 tpt180 -44.33 -39.74 4.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.29 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' GLY . 38.0 m-85 -89.65 8.6 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.09 37.63 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 p -139.46 161.96 54.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.42 27.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' A' ' 54' ' ' ILE . 3.2 mm -66.45 111.79 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' HG12 ' A' ' 53' ' ' ILE . 9.7 mt -120.45 145.72 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' A' ' 48' ' ' LEU . 54.5 t -79.75 140.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.0 OUTLIER -113.73 -45.03 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.21 140.84 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -142.61 105.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.452 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -42.96 -54.54 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.72 -42.69 35.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -63.05 -57.24 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER 157.74 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -40.75 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.48 156.81 7.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.75 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . 107.34 -20.42 32.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.36 128.35 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.422 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.8 mt -81.12 110.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 32' ' ' ILE . 52.7 mt -69.42 104.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.55 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.24 173.15 11.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 87.9 mt -131.53 101.22 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 74.02 6.56 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 -12.95 10.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.8 tp60 -90.12 123.2 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -41.97 147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.33 -1.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -40.71 71.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' CA ' ' HD3' ' A' ' 26' ' ' ARG . 5.2 p30 -117.89 60.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 20.3 mtt -120.48 124.85 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -71.54 152.54 42.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -53.72 -21.33 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 -27.76 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 2.2 mm-40 -68.74 -56.94 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -56.62 -44.36 81.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.4 t -70.46 -58.57 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -58.31 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 18' ' ' TRP . 14.5 mt -52.35 -34.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' SER . 12.2 ttt180 -72.67 -43.57 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -93.01 23.16 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.67 134.28 34.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.75 175.4 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 79.3 p -113.59 141.35 25.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 162.16 93.4 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.001 0.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD23 ' CE2' ' A' ' 18' ' ' TRP . 4.2 tp -96.11 117.98 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -94.24 117.19 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 13.2 mt -119.45 118.34 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -85.81 116.8 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 48' ' ' LEU . 12.9 mt -105.18 138.55 41.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.37 100.64 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.94 105.83 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.65 157.21 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 97.9 m -115.15 161.12 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 11.9 p -130.13 158.33 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.21 98.24 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -86.83 156.3 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.76 106.58 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.53 -165.25 1.97 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.5 3.18 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -86.88 165.46 31.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.99 168.54 77.12 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.574 ' CH2' ' CB ' ' A' ' 81' ' ' LEU . 46.9 m95 -79.5 -54.09 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.86 -0.95 10.01 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 22.5 p90 -115.54 146.77 41.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -109.49 -177.18 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 pt -150.08 176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.474 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -152.02 179.42 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.99 -139.71 47.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.54 162.7 15.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.427 HH21 ' CE1' ' A' ' 29' ' ' HIS . 1.5 tpt180 -46.6 -39.52 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 8.4 p-10 -55.95 -52.49 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -83.08 9.65 9.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CE1' HH21 ' A' ' 26' ' ' ARG . 13.8 m170 55.85 25.95 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.8 p -126.25 158.89 65.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 149.62 36.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.15 108.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -117.75 144.78 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 50' ' ' PRO . 79.3 t -80.33 126.52 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 7.7 p -83.45 -55.65 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -153.29 150.46 28.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.602 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.18 132.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 37' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -37.96 -48.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.32 -55.18 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 10' ' ' VAL . . . -55.01 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.49 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' CG ' ' A' ' 20' ' ' PHE . 33.8 tp -103.75 150.31 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -155.87 156.97 31.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -7.88 13.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.46 138.63 35.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 33' ' ' ILE . 78.9 mt -93.01 118.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.51 118.35 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.5 -45.96 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.38 171.15 14.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 73.1 mt -132.86 101.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 0.7 OUTLIER 73.04 9.63 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.4 -10.34 22.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 120.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.4 m -40.0 138.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.36 19.12 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -51.32 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -108.75 50.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 5.9 mtt -99.65 122.45 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -65.61 153.15 42.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 21.3 t60 -54.39 -21.9 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.18 -25.87 17.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 3.0 mm-40 -69.95 -59.05 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.98 -32.23 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 10.1 mm-40 -69.76 -45.65 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -59.3 -53.69 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.413 HG21 ' NE1' ' A' ' 18' ' ' TRP . 23.3 mt -53.91 -50.42 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -49.57 76.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.72 -7.55 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -71.22 121.65 18.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.36 173.73 8.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 30.6 t -101.36 139.56 20.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.97 161.24 95.24 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.008 -0.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.574 ' CB ' ' CH2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -106.64 114.48 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -93.24 144.29 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 85.2 mt -142.55 117.74 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.4 114.71 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.81 152.35 21.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.3 101.05 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -103.64 157.54 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 62.6 m -115.17 160.97 19.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 85' ' ' LEU . 22.0 t -126.49 155.45 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.95 94.45 3.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.1 t -86.18 147.01 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.32 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.32 -167.38 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.71 3.72 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.027 -0.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -90.41 164.52 26.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -75.0 177.97 36.72 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.026 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 32.1 m95 -86.12 -50.7 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.36 32.13 2.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -144.42 150.55 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 0.722 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -113.5 -177.24 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.6 pt -144.64 169.86 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.482 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.68 -178.19 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.77 -133.5 26.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.72 155.33 10.67 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -46.08 -33.3 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.37 -48.52 78.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -88.58 12.12 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.19 34.06 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.02 159.52 72.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.55 37.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -74.37 110.14 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.2 mt -118.42 143.2 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 48' ' ' LEU . 60.8 t -75.2 138.02 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.4 p -104.87 -47.86 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 147.19 46.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.447 HG23 ' CA ' ' A' ' 49' ' ' ARG . 88.0 t -143.73 110.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 110.362 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.15 -47.94 6.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.23 -44.12 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -86.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.16 37.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -94.71 164.01 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' CA ' HG23 ' A' ' 37' ' ' VAL . 6.6 mtt180 -173.92 155.55 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.31 13.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.03 -18.81 30.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.7 125.37 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.796 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.64 110.86 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.1 mt -72.42 105.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.7 t -75.5 -47.97 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.56 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 47.8 mt -128.58 101.13 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.8 t-20 72.81 5.81 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.0 -13.14 10.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.408 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.9 tp60 -91.3 119.93 31.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -40.74 140.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.56 10.66 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.23 99.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -115.35 53.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.408 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 12.4 mtt -109.1 125.88 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -72.51 150.5 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -53.27 -20.88 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.86 17.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.2 mm-40 -70.19 -58.97 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . . . -61.4 -45.75 93.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -46.71 -49.02 20.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' LYS . 42.2 t -75.96 -53.98 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' SER . 9.5 mmtm -39.97 -65.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 77' ' ' SER . 9.1 mt -39.72 -55.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -50.64 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.32 -8.99 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -72.96 131.58 42.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.24 -179.46 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 38.1 t -108.57 139.08 20.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 161.47 94.78 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.004 -0.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' CD2' ' CE2' ' A' ' 18' ' ' TRP . 5.3 tp -102.77 101.92 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 ttm180 -75.46 133.91 40.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -131.74 116.37 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' VAL . 26.1 tt0 -90.16 102.94 15.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 10' ' ' VAL . 5.7 mt -92.89 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.83 100.67 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.94 102.66 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -78.51 170.94 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -166.7 152.44 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.89 -85.8 1.9 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.082 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 77.0 -62.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 58.78 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.96 125.47 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.65 156.76 27.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 47.6 m -109.33 161.62 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.05 155.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.81 91.71 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.28 155.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.02 166.46 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.55 -174.16 20.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.84 5.99 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.041 0.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -63.27 164.21 15.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.39 39.23 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.987 -2.506 . . . . 0.0 110.993 -0.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.46 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 53.9 m95 -91.06 -51.65 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 28.11 4.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 10.0 p90 -144.61 153.44 41.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -113.64 172.78 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 pt -143.7 172.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -150.9 176.34 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.86 -142.0 44.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 110.51 162.99 18.66 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 3.1 tpm_? -45.71 -33.37 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.62 -50.92 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.55 6.31 41.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 m170 58.47 30.05 19.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.23 160.94 57.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.74 29.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.5 99.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.5 mt -109.3 146.75 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' VAL . 98.3 t -81.0 134.87 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 6.7 p -96.26 -51.7 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 161.4 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 34' ' ' VAL . 72.4 t -143.5 97.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -48.68 121.6 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.44 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.49 161.74 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 41.01 31.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.8 -151.41 24.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -88.54 -58.91 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.31 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -43.23 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.41 -51.96 24.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 173.86 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -98.59 130.55 45.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.03 161.21 63.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.26 9.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.75 -30.12 6.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 11.5 m-20 -49.62 127.32 15.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.766 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 87.4 mt -87.31 112.39 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.01 110.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.89 -48.14 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.49 177.56 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 50.6 mt -132.96 101.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 71.82 6.5 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.67 5.56 13.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 57' ' ' ILE . 1.7 tt0 -109.84 117.57 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -38.77 140.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.25 10.15 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.92 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -116.94 63.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 27.4 mtt -123.06 123.03 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.58 150.94 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -52.58 -23.08 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.41 -27.13 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.46 -58.71 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.4 74.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.09 -62.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -55.21 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' SER . 42.6 mt -55.14 -62.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -43.45 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.68 36.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 74' ' ' ILE . 3.3 t -115.24 117.65 31.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.17 168.38 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 3.7 p -101.23 141.63 23.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 161.58 94.56 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.02 -2.491 . . . . 0.0 111.026 -0.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 18' ' ' TRP . 1.1 tp -105.7 108.06 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 mtm180 -77.24 133.02 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.4 mt -140.64 119.18 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -86.15 114.94 23.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.71 141.75 34.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 101.4 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -109.03 104.65 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -130.75 79.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.1 m -111.96 153.75 26.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -123.7 156.86 18.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.08 30.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.51 155.23 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.55 144.69 18.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -122.08 118.77 29.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -135.83 134.64 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.57 157.79 21.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 p -53.43 160.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -72.35 150.27 43.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.35 122.35 0.63 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.3 156.46 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 84.8 m -107.15 161.69 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 11' ' ' ASP . 7.2 p -137.25 149.56 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -117.21 88.99 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.64 150.23 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.96 164.61 13.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 -168.8 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.15 4.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.005 -0.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -66.53 164.39 32.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.94 173.92 55.31 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.054 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -87.44 -63.49 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 113.01 36.26 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -144.94 151.8 39.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 0.803 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -114.74 171.58 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.6 pt -142.81 169.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -146.12 178.6 8.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.29 -140.37 48.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.51 159.51 15.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -43.16 -38.6 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -54.57 -54.22 44.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -84.72 6.53 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 58.76 31.49 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -129.04 159.82 66.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.77 29.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.74 106.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -116.45 145.14 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 37' ' ' VAL . 90.4 t -80.58 135.55 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 43.7 p -99.36 -48.42 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 158.15 33.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 34' ' ' VAL . 37.9 t -142.57 102.66 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 53.2 m -48.53 137.68 11.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -85.96 141.32 29.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 59.75 29.12 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -106.28 -171.38 23.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -46.62 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.64 -56.79 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -46.98 -49.42 20.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 17.8 t0 -172.63 34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -90.76 125.44 35.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.64 158.74 63.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.43 -17.11 12.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.41 124.01 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 HG12 ' CG1' ' A' ' 33' ' ' ILE . 86.7 mt -81.59 112.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.93 110.78 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 t -78.32 -47.76 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.67 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' GLN . 72.4 mt -131.39 102.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t-20 71.91 8.09 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.91 1.88 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -105.1 117.55 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.2 m -38.74 142.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.78 2.83 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -34.93 66.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -121.82 62.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 26' ' ' ARG . 25.5 mtt -121.53 130.17 53.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt -71.99 149.98 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.25 -21.31 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -24.11 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.8 mm-40 -71.69 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' O ' ' CG1' ' A' ' 74' ' ' ILE . . . -53.19 -35.63 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -63.94 -46.47 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.8 t -67.46 -62.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.08 -57.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 77' ' ' SER . 66.4 mt -49.76 -65.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -57.98 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -53.5 141.78 24.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.88 -170.77 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 2.1 p -112.87 137.22 21.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 161.34 95.02 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.957 -2.518 . . . . 0.0 110.967 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 77' ' ' SER . 2.3 tp -105.01 106.93 17.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.0 mtm105 -78.77 128.36 33.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.2 mt -138.74 121.05 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.05 116.7 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.62 143.33 32.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.19 100.96 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -108.44 102.52 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -128.62 87.02 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.6 m -135.86 152.72 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.22 158.14 27.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -118.51 155.75 30.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 m -39.45 128.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -121.17 -58.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.011 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.48 158.28 21.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -175.32 13.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.44 134.21 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -173.88 161.06 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.65 128.79 5.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.05 157.08 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 56.2 m -113.74 156.54 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 11.2 p -129.68 155.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.65 102.32 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.52 110.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.5 109.11 6.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -60.15 -162.64 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.96 -162.06 2.67 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.98 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.55 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -96.22 166.04 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.02 175.83 46.15 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.935 -2.527 . . . . 0.0 111.03 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 20.2 m95 -83.78 -55.22 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.41 35.75 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 6.9 p90 -144.72 146.48 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.09 -177.37 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.8 pt -147.7 167.39 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.55 178.87 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.99 -132.96 45.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.55 -178.78 18.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 65' ' ' MET . 4.0 tpt180 -67.04 -36.17 81.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -40.45 96.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -88.47 4.48 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.17 33.23 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p -134.85 161.61 62.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.12 27.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.24 108.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -118.72 145.07 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 37' ' ' VAL . 88.7 t -78.95 140.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 23.1 p -106.02 -50.29 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.46 155.47 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 34' ' ' VAL . 73.7 t -143.61 99.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -47.78 133.34 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 41' ' ' GLY . 3.5 tt0 -82.0 154.79 25.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 42.53 28.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 39' ' ' GLU . . . -99.78 -147.11 21.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -86.49 -55.8 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -51.63 -70.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -44.34 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.32 -48.64 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -73.12 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.72 35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.4 tp -86.88 126.66 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 156.85 74.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 121.28 -25.48 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 128.83 37.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 33' ' ' ILE . 69.1 mt -84.67 114.77 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.06 115.02 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.2 t -85.84 -45.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.6 175.08 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 67.2 mt -135.02 101.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 2.1 t-20 79.08 0.09 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.07 -9.6 8.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -96.08 128.89 43.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 150.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -130.99 12.28 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -39.4 85.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -114.68 46.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 9.0 mtt -105.21 122.75 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -66.67 152.03 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -53.46 -22.21 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.1 -25.93 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 3.1 mm-40 -69.16 -56.83 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . . . -62.6 -31.66 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -72.43 -38.65 68.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 t -78.39 -42.75 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -59.64 -56.16 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 77' ' ' SER . 16.1 mt -50.16 -53.33 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -52.92 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.87 -12.48 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -64.3 119.87 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 170.53 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 88.2 p -97.2 138.99 21.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.24 95.23 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.016 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -105.99 113.44 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -93.19 141.01 28.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 81' ' ' LEU . 90.1 mt -141.07 119.26 12.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -85.76 109.05 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 mt -96.74 148.39 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.14 101.2 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -112.8 102.35 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 t -131.15 85.36 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.84 124.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -154.4 175.55 32.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.83 37.3 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.66 165.45 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 p -67.67 161.71 25.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -85.46 125.48 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -64.34 94.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.03 63.57 3.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.6 -58.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -136.62 105.4 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.56 124.52 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -113.89 156.57 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 93.4 m -108.83 159.52 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 5.7 p -130.09 148.36 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.42 88.6 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.529 HG12 ' CE3' ' A' ' 18' ' ' TRP . 73.0 t -66.55 147.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -112.7 96.59 6.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.09 -160.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -161.81 2.59 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.022 -0.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -88.92 164.3 31.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.93 175.72 46.54 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.023 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 31.9 m95 -83.78 -52.15 6.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.37 29.96 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.9 p90 -137.75 148.49 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -113.14 174.89 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 pt -143.07 170.92 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -144.16 -178.7 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.79 -139.13 46.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.26 159.85 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -47.45 -31.63 4.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -92.87 8.33 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m170 59.15 29.03 18.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -127.54 160.08 62.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.76 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -68.62 101.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG1' HG12 ' A' ' 53' ' ' ILE . 3.9 mt -110.78 146.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' CG2' ' A' ' 37' ' ' VAL . 93.5 t -79.18 137.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 76.7 p -99.92 -52.45 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 159.19 30.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 34' ' ' VAL . 64.7 t -143.81 97.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 m -47.77 136.34 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -83.62 136.87 34.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 61.86 44.05 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -116.92 -161.88 12.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 2.0 mptp? -78.75 -38.15 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . -65.27 -71.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -42.76 -48.34 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 10' ' ' VAL . . . -70.82 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.4 34.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 24.0 tp -89.85 132.49 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -134.84 159.41 72.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.37 -25.14 9.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.25 126.49 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.796 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 33' ' ' ILE . 93.0 mt -84.05 110.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.17 110.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.3 t -78.26 -47.75 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.13 172.83 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -131.82 101.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 t-20 71.59 8.36 6.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 -11.29 12.79 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.474 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -92.75 120.11 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -39.94 145.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.03 6.27 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -42.85 96.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -114.75 55.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.474 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 14.9 mtt -114.43 123.55 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -69.48 153.23 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.02 -22.97 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.22 -26.94 18.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.3 mm-40 -69.94 -58.09 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -68.49 -47.69 66.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.9 t -63.36 -57.42 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -46.93 -58.67 3.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 77' ' ' SER . 7.0 mt -47.73 -56.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -52.61 -54.88 27.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.73 -7.93 31.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -75.8 134.55 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.96 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.79 -171.55 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 23.0 t -111.46 139.72 22.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 160.96 95.78 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.016 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.521 HD21 ' CE2' ' A' ' 18' ' ' TRP . 5.7 tp -109.17 107.79 18.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 3.0 ttp180 -80.65 130.71 35.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.68 118.84 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' VAL . 15.8 tt0 -86.16 116.37 24.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.28 143.57 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.11 101.14 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -108.88 104.21 13.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 t -118.21 81.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.5 m -78.56 170.97 15.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.03 159.02 29.04 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.06 42.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -161.67 136.87 7.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -141.17 126.51 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.28 129.82 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -162.37 93.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 75.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -94.48 166.37 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.02 169.93 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.03 123.78 4.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.28 157.02 25.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 83.4 m -110.18 156.96 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' CG2' ' HB1' ' A' ' 46' ' ' ALA . 2.6 p -124.41 146.44 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -116.25 89.54 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 HG11 ' CE3' ' A' ' 18' ' ' TRP . 61.1 t -66.72 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -110.83 94.33 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.35 -159.88 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.07 2.67 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -89.52 164.46 29.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.0 168.0 78.75 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.526 ' CE2' HD23 ' A' ' 81' ' ' LEU . 23.2 m95 -77.31 -61.09 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 114.95 30.07 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -135.26 149.03 49.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -110.93 175.74 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 pt -144.85 170.01 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -143.75 179.36 7.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.06 -146.54 35.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 118.64 162.77 12.27 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.2 tpm_? -46.02 -36.54 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.95 89.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' GLY . 98.0 m-85 -94.81 0.19 54.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.4 m170 63.92 19.4 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -117.28 161.08 34.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.98 27.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.22 108.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -117.97 146.01 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 37' ' ' VAL . 89.1 t -79.41 135.9 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 20.0 p -99.96 -50.5 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.82 33.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' CG2' HG11 ' A' ' 34' ' ' VAL . 50.9 t -143.11 101.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 14.1 m -47.48 138.52 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -81.59 138.01 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 52.79 53.7 11.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -122.88 -163.69 11.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 9.3 mptt -73.9 -40.24 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.79 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.37 -46.51 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -42.06 -44.55 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' CG2' ' A' ' 10' ' ' VAL . . . -74.75 -94.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -170.48 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 tp -88.4 129.77 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -131.81 158.71 74.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.74 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 118.07 -21.28 10.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 121.07 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.478 HG12 ' CG1' ' A' ' 33' ' ' ILE . 67.4 mt -78.43 110.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.29 109.83 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.4 t -76.84 -48.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.77 175.73 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 64.3 mt -135.62 101.76 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER 76.64 7.17 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.65 22.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.24 125.9 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -39.41 144.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -123.33 4.11 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -40.11 86.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -114.34 61.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.425 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 23.9 mtt -121.56 122.15 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.1 mt -69.24 151.47 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -52.41 -23.11 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.64 -25.91 18.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' LEU . 4.1 mm-40 -72.01 -61.15 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.28 -32.43 66.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -67.75 -45.21 75.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.8 t -67.72 -56.67 8.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -44.29 -57.86 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.25 -55.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -43.0 75.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.95 -6.89 53.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -80.83 137.03 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.09 -166.06 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 94.2 p -116.43 139.33 25.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.65 94.42 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.026 -0.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 ' CE2' ' A' ' 18' ' ' TRP . 3.2 tp -107.06 115.68 30.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.4 ttm180 -89.04 126.65 35.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.5 mt -136.46 120.96 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' VAL . 11.5 tt0 -87.31 114.22 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -99.96 141.24 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.68 101.08 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.14 105.62 15.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 t -122.63 89.1 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 132.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -139.04 152.66 22.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.62 15.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -118.27 72.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 t -164.36 130.52 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -177.34 113.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -104.68 93.97 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.33 -123.53 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.41 112.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 0.79 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.75 151.63 23.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.73 129.0 3.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.51 157.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 41.6 m -117.69 160.2 21.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 85' ' ' LEU . 13.1 t -115.71 153.43 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.73 89.71 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 81' ' ' LEU . 2.8 t -82.38 155.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.7 101.08 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.62 -171.62 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.91 5.22 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.958 0.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -86.33 164.97 35.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.0 179.33 31.02 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.016 0.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 34.8 m95 -88.32 -53.26 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 107.986 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.96 32.3 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.5 p90 -144.82 149.24 35.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -109.9 -177.28 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.3 pt -149.91 172.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 8.1 t -144.11 -178.01 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.31 -134.01 45.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.93 -177.78 17.98 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -67.1 -36.75 82.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -60.54 -39.47 88.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.34 11.91 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 51.34 21.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.569 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -117.29 158.57 44.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.92 28.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.8 mm -66.24 105.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.19 145.56 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' VAL . 93.3 t -78.93 135.88 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 38.4 p -98.19 -51.09 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 159.78 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 34' ' ' VAL . 94.6 t -142.73 112.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.4 m -53.04 121.59 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 7.9 tt0 -66.1 146.27 54.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' GLU . 8.0 mmt180 38.1 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -92.98 -148.95 24.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -89.68 -27.76 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -72.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -43.14 -29.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.19 -55.1 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -60.19 -72.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER 163.36 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.7 tp -105.66 129.21 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -127.34 156.01 75.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.62 6.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -30.21 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.01 140.97 19.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.7 mt -97.13 117.69 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -74.29 111.21 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.4 t -79.63 -46.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.79 178.41 7.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 68.4 mt -135.52 103.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 1.2 m120 78.6 3.36 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.04 -3.91 16.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.3 130.94 46.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -39.53 147.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -132.55 11.29 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.62 88.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -108.4 59.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtt -117.89 113.05 21.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' GLU . 1.8 mt -58.16 150.01 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.3 t60 -51.23 -22.69 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.2 -28.33 17.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' LEU . 3.8 mm-40 -69.38 -57.28 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' CB ' HD13 ' A' ' 32' ' ' ILE . . . -62.72 -29.11 70.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 9.7 mm-40 -74.41 -39.61 62.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 40.2 t -74.08 -46.71 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.11 -53.47 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 mt -56.95 -43.83 81.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -74.14 -12.92 60.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' SER . 5.5 mm-40 -110.97 4.37 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -77.45 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.8 160.7 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 24.8 t -90.98 135.7 28.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 161.82 94.08 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.03 -0.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -98.62 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 6.5 mtt180 -86.42 139.68 30.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD1' HD12 ' A' ' 81' ' ' LEU . 86.5 mt -141.94 118.74 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -85.86 111.06 19.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 10' ' ' VAL . 12.1 mt -98.7 150.85 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.76 100.7 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.13 104.23 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -142.77 81.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 127.91 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.52 180.0 20.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.61 14.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.01 -59.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.5 p -172.58 124.01 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.56 99.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -126.36 113.73 17.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.26 61.35 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -55.67 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 m 58.28 161.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.12 132.3 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.94 157.3 23.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 46.7 m -114.89 161.93 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.457 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 9.9 t -122.18 148.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 88.07 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.47 156.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.89 97.94 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.48 -168.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.36 4.12 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.011 0.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -89.79 165.89 23.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.09 40.56 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CE2' HD22 ' A' ' 81' ' ' LEU . 33.8 m95 -85.69 -60.0 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.9 37.8 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 5.1 p90 -144.3 152.34 40.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.7 mtt180 -112.93 -177.53 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' A' ' 21' ' ' ARG . 12.0 pt -153.87 168.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.71 178.91 7.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.47 -138.52 48.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.75 179.19 19.59 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.09 -36.67 82.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.83 -39.32 91.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -95.7 12.05 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 50.45 25.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.6 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.4 p -123.44 159.68 53.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.24 30.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 54' ' ' ILE . 3.1 mm -66.33 104.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.58 145.18 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' CG2' ' A' ' 37' ' ' VAL . 79.9 t -80.85 138.57 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 81.3 p -102.84 -49.38 3.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 157.07 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' HG12 ' A' ' 34' ' ' VAL . 28.7 t -143.7 103.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 17.8 m -47.32 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.18 140.21 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 43.52 39.29 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.0 -139.86 10.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -90.54 -50.69 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . . . -61.04 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -40.22 -40.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.56 -48.34 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.34 -78.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 171.82 41.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 43' ' ' ALA . 22.3 tp -92.57 141.06 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -141.46 157.38 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.52 -27.75 5.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -55.06 124.08 15.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.236 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -80.86 111.94 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 32' ' ' ILE . 10.9 mt -71.05 109.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.87 -49.39 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.68 173.24 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 63.0 mt -130.44 101.25 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 t-20 72.98 7.89 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.5 -10.94 12.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.7 OUTLIER -92.73 118.69 31.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.55 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.97 4.38 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.12 70.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 6.3 m-20 -122.19 58.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.43 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 24.7 mtt -119.22 121.91 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.1 mt -68.03 151.0 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.81 -21.94 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.65 -25.98 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 2.1 mm-40 -69.63 -57.55 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' CB ' HD13 ' A' ' 32' ' ' ILE . . . -58.8 -40.35 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.2 -47.33 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 18.7 t -66.24 -60.53 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -58.05 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.8 -49.67 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -63.64 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' SER . 7.6 mt-30 -102.34 10.86 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.43 ' OG ' ' ND2' ' A' ' 58' ' ' ASN . 4.5 t -93.79 134.76 35.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.44 -159.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 11.5 p -129.48 139.97 37.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.01 161.19 95.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.975 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 18' ' ' TRP . 2.5 tp -105.25 116.55 32.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -86.38 129.66 34.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' VAL . 77.0 mt -134.96 123.08 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -91.12 122.58 33.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD1' ' CG2' ' A' ' 10' ' ' VAL . 17.3 mt -110.44 140.08 45.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.3 100.94 12.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.61 101.2 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.2 t -128.05 109.95 12.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 163.87 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.11 159.71 35.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.12 42.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 144.47 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m 60.32 84.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 62.68 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.036 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -175.2 101.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.58 -115.96 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.098 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -45.46 150.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.2 138.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.0 127.83 9.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.81 157.62 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.0 m -114.41 161.73 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 10.9 t -122.05 148.85 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.74 88.07 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 42' ' ' LYS . 21.8 t -78.54 156.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.78 88.96 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.24 -160.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -165.36 4.1 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 -0.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -77.56 165.56 50.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 170.56 71.51 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.465 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 54.0 m95 -85.22 -61.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' THR . . . 115.2 35.04 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 16.5 p90 -144.84 151.51 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -115.46 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 pt -136.36 174.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 2.7 t -151.2 -176.97 5.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.47 -137.18 45.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.48 175.09 19.56 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -59.1 -34.22 71.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.18 -46.45 87.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -87.05 9.65 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 54.62 28.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.581 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.3 p -128.78 160.51 62.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.53 30.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 HD12 ' CB ' ' A' ' 70' ' ' ALA . 2.7 mm -66.52 101.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.3 mt -110.88 150.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG13 ' CG2' ' A' ' 37' ' ' VAL . 99.5 t -87.76 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 5.5 p -90.05 -50.62 5.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 164.15 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' HG13 ' A' ' 34' ' ' VAL . 88.1 t -143.68 96.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLY . 22.4 m -49.55 127.18 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 157.73 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.28 29.9 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -110.72 159.24 13.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 10.4 mptt -39.59 -47.39 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.55 -73.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -46.0 -37.9 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 -44.95 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.53 -79.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 41.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 20' ' ' PHE . 59.6 tp -91.23 132.45 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.33 158.73 74.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.95 9.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.69 -14.63 12.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.6 124.53 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 33' ' ' ILE . 75.5 mt -82.67 113.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.76 111.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.3 t -80.13 -49.1 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.44 170.06 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 55.5 mt -130.06 101.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.573 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.1 t-20 72.83 7.14 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.59 -13.76 10.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.1 tp60 -91.43 120.87 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.64 147.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -126.53 12.49 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.94 -34.11 75.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -123.16 47.33 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 13.5 mtt -106.75 106.28 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 mt -51.12 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -63.02 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -21.98 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 11.3 mm-40 -70.73 -59.39 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -57.62 -39.27 76.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -61.96 -53.03 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -55.71 -58.08 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -56.35 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mt -51.76 -41.82 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -39.08 92.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -99.44 36.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.573 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -109.93 127.73 54.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.05 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 98.6 p -111.62 140.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 161.52 94.67 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.989 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD23 ' CE2' ' A' ' 18' ' ' TRP . 5.1 tp -105.53 100.27 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.6 ttm180 -71.0 133.9 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' VAL . 84.3 mt -138.69 119.33 14.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -90.94 114.6 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' CD1' ' CG2' ' A' ' 10' ' ' VAL . 9.3 mt -101.0 142.17 32.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.72 100.83 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.68 106.42 11.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t -143.74 87.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.58 132.65 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.0 171.27 27.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.0 11.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.0 p -160.81 128.51 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 m -89.73 96.53 10.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -83.55 142.12 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.025 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -114.82 168.99 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.17 123.6 0.67 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.4 p -138.79 154.54 48.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -95.71 166.72 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.45 125.5 4.69 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.55 156.31 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 31.8 m -106.86 161.52 14.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 11' ' ' ASP . 7.7 p -136.75 146.02 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -112.43 109.9 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 28.2 t -107.22 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.83 106.95 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -87.84 -104.44 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.01 177.12 40.48 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HA ' ' C ' ' A' ' 17' ' ' PRO . . . -39.46 158.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.09 168.89 76.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.934 -2.527 . . . . 0.0 110.982 0.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 81' ' ' LEU . 58.4 m95 -94.61 -67.92 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 117.56 37.76 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -140.55 151.37 44.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -115.83 167.17 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 pt -134.51 173.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -146.34 179.52 7.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.33 -131.01 51.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 105.43 169.69 23.79 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' CD ' ' HB3' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -54.25 -38.37 65.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.83 -45.66 85.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -90.89 12.31 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.2 m170 52.69 30.27 8.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.5 p -129.13 159.72 67.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.13 29.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.757 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.34 102.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -111.61 145.84 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 37' ' ' VAL . 89.0 t -79.06 134.98 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.8 p -97.49 -50.86 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 160.43 31.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 34' ' ' VAL . 74.3 t -143.35 105.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 8.3 m -49.28 126.78 13.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.22 141.69 45.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 47.05 34.98 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.42 -147.07 17.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -85.93 -47.28 9.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.23 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -44.05 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.47 -51.18 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.0 38.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -95.89 127.82 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 157.93 67.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.77 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.24 -28.31 7.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.133 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.78 128.94 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 HG12 ' CG1' ' A' ' 33' ' ' ILE . 70.5 mt -85.69 113.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.1 mt -70.13 111.38 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -79.24 -48.87 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.6 172.38 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.9 mt -131.81 101.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 71.59 8.61 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 -10.69 13.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.18 119.32 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 0.804 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.71 144.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.78 10.9 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.74 79.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' HB3' ' CD ' ' A' ' 26' ' ' ARG . 69.0 m-80 -123.22 57.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.7 mtt -113.14 124.89 53.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 2.0 mt -65.8 151.2 47.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.11 -24.56 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.38 -27.05 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 4.7 mm-40 -68.48 -54.86 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -64.95 -48.43 74.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' GLN . 25.3 t -60.86 -58.14 9.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.06 -57.02 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.17 -54.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -59.71 -18.54 43.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' SER . 4.0 mm-40 -114.58 24.46 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.436 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -101.38 123.91 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.13 176.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.6 p -106.73 140.05 20.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.54 94.63 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.01 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.568 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 4.9 tp -111.0 104.42 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -79.55 128.33 33.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.86 122.13 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -86.09 121.52 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.37 139.17 43.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.09 101.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.58 106.11 16.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -134.07 78.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.81 171.44 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -131.23 160.12 23.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 m -128.41 130.7 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.37 130.29 42.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.11 161.53 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -127.96 171.21 12.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 -164.85 22.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -118.79 177.35 4.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 p -124.69 149.96 46.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.18 119.2 4.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -106.9 157.67 17.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.6 m -118.99 152.02 37.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 7.2 p -116.63 155.77 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.87 94.91 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.39 155.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.13 99.0 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.92 -164.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.424 1.077 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 18.3 Cg_endo -75.0 -162.98 2.95 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.992 -0.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -93.36 166.26 16.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.99 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 24.2 m95 -79.58 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.61 38.32 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 13.4 p90 -145.28 145.23 31.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 17.8 mtt180 -101.5 -177.69 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 21' ' ' ARG . 7.0 pt -154.49 174.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.97 177.22 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.84 -144.84 49.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.96 156.63 12.46 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.5 tpm_? -39.32 -35.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -55.38 -58.24 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -84.72 12.8 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 m170 53.25 29.85 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.2 p -124.71 159.26 59.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HD12 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mm -66.13 101.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.0 mt -109.57 146.47 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.502 ' CG1' HG11 ' A' ' 37' ' ' VAL . 72.6 t -83.43 124.09 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -79.61 -56.92 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.15 145.94 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.502 HG11 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -124.77 129.34 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -50.49 109.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.37 154.75 4.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.79 29.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -102.97 -158.14 25.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 17' ' ' PRO . 3.2 mtmp? -74.48 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.65 -60.63 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -47.25 84.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -46.43 -38.19 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.55 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.49 29.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.3 152.7 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -160.95 158.6 24.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 18.1 Cg_endo -75.04 129.32 12.2 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.88 -4.52 25.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' CB ' HD13 ' A' ' 85' ' ' LEU . 8.6 m-20 -83.71 125.79 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 83.2 mt -82.96 111.36 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.09 109.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.74 -48.58 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.15 173.29 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.2 mt -133.84 101.35 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 72.94 11.97 5.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.09 -6.15 27.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -98.39 118.44 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.63 148.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 7.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.19 69.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 3.5 p30 -123.35 60.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 28.6 mtt -121.4 120.31 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.5 mt -67.79 153.5 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.01 -21.44 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.56 -27.41 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 2.9 mm-40 -68.37 -56.84 7.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -60.9 -38.72 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.25 -42.82 99.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.2 t -69.32 -54.69 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -57.47 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.8 mt -53.52 -44.07 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -66.16 -29.22 69.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.8 mt-30 -109.75 39.88 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.85 126.37 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.86 157.91 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 39.8 t -93.03 143.7 27.2 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.95 161.77 94.17 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 18' ' ' TRP . 3.0 tp -104.49 110.48 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.2 ttm180 -88.5 117.14 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 47.6 mt -123.07 118.17 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -86.35 114.52 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' CB ' ' A' ' 52' ' ' ASP . 15.9 mt -101.61 143.68 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.23 101.24 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -111.64 103.93 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t -116.55 82.57 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.74 167.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.0 -179.01 37.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.0 2.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.7 m -165.31 164.52 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 p -158.37 116.55 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.96 152.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 0.725 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -103.55 118.02 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.87 156.48 7.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -46.49 161.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -141.05 142.61 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.46 125.15 2.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.85 156.8 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.1 m -110.65 161.64 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 13.5 p -136.63 155.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -121.8 96.56 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 25.1 t -90.64 99.29 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.61 102.8 15.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -85.39 -105.61 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.482 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 179.02 32.1 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.004 -0.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HA ' ' C ' ' A' ' 17' ' ' PRO . . . -38.93 157.45 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 171.74 66.56 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.037 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 81' ' ' LEU . 59.9 m95 -97.87 -66.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.24 42.77 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 19.9 p90 -145.15 150.29 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -113.37 166.54 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.18 166.65 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.21 176.86 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.981 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.69 -134.05 49.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 109.31 166.34 20.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 1.3 tpm_? -51.04 -39.91 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 0.735 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -49.51 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -86.23 10.29 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.91 21.2 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.6 p -119.64 159.02 47.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 145.48 31.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.62 102.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -111.84 145.95 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.436 HG13 ' CG2' ' A' ' 37' ' ' VAL . 84.0 t -79.85 141.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.2 p -106.09 -50.53 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.35 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.436 ' CG2' HG13 ' A' ' 34' ' ' VAL . 76.3 t -141.09 101.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m -47.97 125.08 8.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -75.15 144.78 42.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 52.51 20.21 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.13 -146.4 13.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -88.7 -59.8 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -45.98 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ALA . 8.4 tm-20 -38.81 -44.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.85 -50.73 10.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -67.98 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 176.69 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.0 tp -95.06 126.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -126.17 158.77 65.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.25 -26.33 8.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.01 129.53 38.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.6 mt -87.17 111.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.91 109.83 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.3 t -76.74 -47.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.91 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 68.0 mt -128.62 102.5 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 73.54 5.46 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.52 -4.53 13.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -100.08 117.54 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 143.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.98 2.8 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -26.6 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 4.1 p30 -127.26 53.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 24.9 mtt -116.6 122.11 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -68.45 152.14 45.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -53.18 -21.3 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.06 -27.49 16.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.4 mm-40 -70.15 -59.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -66.82 -46.41 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -64.11 -58.5 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -58.62 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.1 mt -50.33 -49.74 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.46 78.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -97.24 24.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.442 ' OG ' ' CD1' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -99.05 121.52 41.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 172.04 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 29.2 t -101.7 139.97 20.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.01 161.39 94.94 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.959 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.571 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 7.6 tp -110.08 103.63 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 ttt180 -78.02 133.94 37.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 78.6 mt -140.72 120.64 13.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' VAL . 18.8 tt0 -87.26 118.46 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.57 143.59 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.82 100.81 11.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -110.75 104.93 13.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.28 88.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 163.44 39.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -145.81 149.57 21.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -75.01 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' PRO . 0.5 OUTLIER 39.89 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.6 t -61.79 135.07 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -75.97 -57.63 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.98 145.94 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.43 -107.01 1.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p -70.73 131.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 m -138.24 81.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.98 120.85 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.97 156.65 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 92.8 m -111.42 161.48 16.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 12.6 p -128.37 155.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.78 93.34 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -76.91 156.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.2 106.54 14.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.8 -167.18 7.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.7 3.72 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.008 -0.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -84.97 164.95 39.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.5 Cg_endo -74.99 168.36 77.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.057 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CE2' ' CD2' ' A' ' 81' ' ' LEU . 39.2 m95 -79.14 -49.57 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.36 15.79 7.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.2 p90 -132.89 146.51 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 -177.2 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 pt -149.28 173.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -150.83 176.74 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.17 -140.24 46.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 116.48 -173.68 14.84 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.44 HH21 ' CE1' ' A' ' 29' ' ' HIS . 5.1 tpt180 -67.7 -34.81 77.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.43 -53.66 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -82.12 8.23 11.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CE1' HH21 ' A' ' 26' ' ' ARG . 12.0 m170 54.68 31.64 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.98 158.62 70.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.87 30.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.2 110.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.487 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.1 mt -117.45 148.88 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 50' ' ' PRO . 70.7 t -82.74 126.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 29.3 p -84.97 -54.74 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 149.8 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.28 134.56 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 134.97 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -82.16 146.82 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 54.0 41.77 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -118.58 -141.74 6.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -84.42 -47.39 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' CB ' HG23 ' A' ' 37' ' ' VAL . . . -64.34 -70.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.64 -51.22 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -43.37 -46.86 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 10' ' ' VAL . . . -65.82 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -172.6 35.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 20' ' ' PHE . 16.8 tp -99.27 147.22 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -155.15 157.27 31.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.99 122.86 7.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.24 -13.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.41 135.69 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.487 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.4 mt -92.39 112.4 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.86 111.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.3 t -78.25 -47.54 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.33 175.82 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.483 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 53.8 mt -131.05 101.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 70.0 9.07 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.8 -5.32 18.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -97.75 119.09 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 4.6 p -38.7 147.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.04 5.0 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.9 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -127.76 54.22 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.483 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 20.4 mtt -114.21 117.43 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.6 mt -64.12 151.07 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.2 t60 -51.89 -22.42 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.46 -27.25 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 3.2 mm-40 -70.29 -58.28 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.76 78.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 8.6 mm-40 -62.42 -50.99 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t -65.96 -55.99 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -46.34 -56.77 5.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' SER . 11.5 mt -50.47 -60.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.23 -56.81 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.91 -14.2 20.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.4 OUTLIER -68.57 125.08 25.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.02 -176.01 4.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 78.3 p -109.7 140.7 22.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.26 95.2 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.949 0.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' CD2' ' CE2' ' A' ' 18' ' ' TRP . 9.4 tp -106.83 111.87 24.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 mtm180 -87.95 134.79 33.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 82.9 mt -140.91 118.94 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 55' ' ' VAL . 20.8 tt0 -85.96 117.14 24.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -103.13 147.17 27.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.4 100.88 11.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.54 105.83 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -150.43 92.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.81 -46.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.55 155.72 13.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.47 43.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.424 1.75 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 t -167.03 102.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m 56.71 167.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.76 -58.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -161.12 114.89 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.38 151.38 5.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -67.84 143.36 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -129.17 121.16 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.08 133.36 6.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.32 157.57 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.7 m -113.71 161.82 17.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 85' ' ' LEU . 15.5 t -121.28 154.62 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.21 88.26 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 42' ' ' LYS . 29.8 t -74.98 140.71 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -107.95 93.48 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.11 -163.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.38 2.77 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.002 -0.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -85.64 165.94 32.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 178.6 33.98 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.021 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.477 ' CE2' HD23 ' A' ' 81' ' ' LEU . 40.2 m95 -87.19 -61.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 112.92 36.95 1.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 11.0 p90 -144.62 151.04 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -115.89 167.83 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 pt -136.19 174.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.75 -179.42 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.53 -133.27 49.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.99 177.03 20.53 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -59.87 -54.84 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -80.1 5.11 15.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.8 m170 60.74 30.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 p -128.25 160.23 63.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.01 29.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.745 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.7 104.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -113.72 148.46 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 37' ' ' VAL . 87.2 t -82.75 131.07 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 2.3 p -91.6 -50.94 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.07 161.84 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' HG13 ' A' ' 34' ' ' VAL . 79.2 t -143.56 102.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 43.6 m -47.47 129.49 13.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -81.12 7.4 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -149.9 49.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.27 -171.56 12.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.2 mptt -76.71 -32.12 57.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.72 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -45.52 46.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.53 -37.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.65 -96.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.03 32.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.6 tp -85.39 128.4 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.41 158.75 68.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.39 8.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 -26.56 9.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.3 121.43 8.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 33' ' ' ILE . 84.2 mt -80.21 109.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.12 111.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.4 t -77.96 -48.18 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.32 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 51.4 mt -129.04 101.6 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.599 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.2 m-20 70.75 7.73 6.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.93 -13.1 10.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -89.79 118.3 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -39.98 140.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.03 0.07 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -41.22 76.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -114.43 48.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.413 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 10.5 mtt -108.89 125.91 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -69.77 155.58 40.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.84 -21.16 27.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.648 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.94 -24.34 17.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 2.6 mm-40 -70.61 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.99 64.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -73.99 -43.96 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 t -67.03 -55.36 14.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.41 -57.24 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -51.67 -52.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -61.95 -19.17 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -117.05 32.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.599 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -108.07 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.22 171.15 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 5.5 t -106.9 139.09 20.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.99 161.2 95.34 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.989 0.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.477 HD23 ' CE2' ' A' ' 18' ' ' TRP . 0.8 OUTLIER -106.78 110.19 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.33 139.38 38.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.9 mt -142.14 116.5 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' VAL . 18.5 tt0 -87.16 109.8 19.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 10' ' ' VAL . 17.6 mt -95.61 146.98 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.28 101.23 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.97 105.6 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 t -156.15 83.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.35 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 157.78 20.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.67 34.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -174.6 140.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.04 95.78 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.07 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.11 164.77 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -57.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.87 94.79 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -59.06 139.93 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.47 165.91 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.58 124.46 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.52 156.95 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.467 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 65.7 m -110.72 161.91 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 10.2 t -122.72 155.74 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.33 88.46 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.7 t -77.7 132.72 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -104.52 95.42 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.76 -161.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.4 2.47 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.035 -0.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -90.97 165.89 20.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.05 167.18 81.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.968 -2.514 . . . . 0.0 110.981 0.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.516 ' CE3' HG12 ' A' ' 12' ' ' VAL . 27.4 m95 -76.94 -65.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.93 36.36 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.7 p90 -144.33 150.86 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -114.49 170.29 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.63 167.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.3 -178.4 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' CA ' ' OG1' ' A' ' 30' ' ' THR . . . 55.79 -134.38 49.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.93 162.14 20.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -49.35 -34.15 15.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.83 -50.84 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -85.6 9.25 16.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 56.67 32.92 21.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' CA ' ' A' ' 24' ' ' GLY . 3.2 p -131.78 159.49 71.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.91 28.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 70' ' ' ALA . 2.5 mm -66.67 104.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -115.11 146.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 51' ' ' GLY . 92.5 t -81.69 135.1 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.3 p -101.13 -48.74 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -122.36 152.81 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' CG2' HG13 ' A' ' 34' ' ' VAL . 41.4 t -141.74 97.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 m -47.81 126.51 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.2 3.6 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -146.85 49.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.69 -166.55 12.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 5.5 mptt -83.85 -17.73 39.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.36 -72.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -41.83 -50.83 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.53 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.23 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.81 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.5 tp -90.74 140.91 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.38 156.85 74.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 121.64 6.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.89 -19.1 11.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -61.78 125.17 22.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -81.33 110.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.1 108.89 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.5 t -76.53 -48.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.53 10.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.414 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 45.6 mt -131.55 101.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.585 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.1 t-20 72.3 7.88 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.52 -11.37 12.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -92.35 120.29 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.6 m -39.22 141.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.5 4.16 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.53 -34.2 70.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -122.87 58.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.414 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 20.8 mtt -116.36 123.54 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' GLU . 1.8 mt -68.92 150.23 47.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -51.01 -22.74 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.45 -29.0 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.8 mm-40 -69.69 -55.69 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 32' ' ' ILE . . . -62.13 -29.09 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -73.54 -44.61 57.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLN . 20.3 t -64.62 -55.28 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -58.95 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -49.15 -51.32 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -28.19 69.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.4 mt-30 -107.04 31.93 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.585 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -107.87 126.29 52.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.39 -178.11 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 74.2 p -117.06 140.65 27.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.0 Cg_endo -75.05 161.37 94.95 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.958 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.511 HD23 ' CE2' ' A' ' 18' ' ' TRP . 1.3 tp -104.1 110.38 22.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -80.7 135.68 36.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.8 mt -137.73 116.55 12.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' VAL . 17.7 tt0 -86.77 109.92 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.47 ' CD1' ' CG2' ' A' ' 10' ' ' VAL . 12.9 mt -97.25 145.59 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.38 100.76 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -114.54 105.81 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -134.17 86.31 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -169.65 167.28 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.45 157.77 21.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.52 38.09 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.81 161.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -47.47 155.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.063 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -63.15 158.46 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.67 -55.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.74 77.07 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -115.11 168.74 9.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -141.83 145.46 34.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.7 125.74 2.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -104.58 157.21 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 94.7 m -116.11 158.35 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.462 ' CG2' ' HB1' ' A' ' 46' ' ' ALA . 3.3 p -131.53 148.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.49 93.08 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.7 t -72.99 136.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.18 109.7 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.08 -166.21 5.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -164.03 3.42 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 -0.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -87.64 166.2 26.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.96 177.51 38.72 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.041 -0.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 15.5 m95 -87.01 -59.42 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 107.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.28 39.95 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 2.1 p90 -144.42 152.46 40.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -115.11 -179.18 3.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.2 pt -148.23 172.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -142.06 177.91 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.37 -134.83 52.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.1 161.11 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -51.05 -34.6 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.13 -45.62 93.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -86.64 3.41 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m170 57.15 39.68 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -136.33 161.27 63.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.67 23.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.65 107.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.6 mt -115.22 144.88 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 37' ' ' VAL . 93.4 t -75.29 133.13 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.439 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 3.3 p -97.51 -48.97 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 154.42 45.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 34' ' ' VAL . 58.6 t -138.59 107.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -47.49 130.97 14.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.345 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.08 140.24 40.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 46.11 37.69 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.83 -148.87 21.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -84.48 -42.42 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -64.15 -69.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -42.26 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.1 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 10' ' ' VAL . . . -67.54 -88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 178.45 38.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -96.14 139.23 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -138.99 158.73 69.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' HG22 ' A' ' 37' ' ' VAL . 18.4 Cg_endo -75.01 128.16 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 114.65 -23.64 11.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 68.3 m-20 -58.44 127.93 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 33' ' ' ILE . 61.1 mt -84.28 115.71 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.75 115.34 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -46.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.44 174.31 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLN . 60.7 mt -133.97 101.74 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 77' ' ' SER . 4.0 t-20 73.2 12.63 4.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.71 -10.48 27.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -93.75 120.71 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -39.38 139.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.983 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.19 7.66 11.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.35 -36.63 84.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -112.15 41.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 26.4 mtt -109.46 112.54 24.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.2 mt -60.92 157.02 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 19.9 t60 -57.27 -21.35 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.32 -23.46 18.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 28.6 mt-10 -72.65 -64.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . . . -57.35 -43.64 83.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 4.6 mm-40 -46.28 -52.76 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LYS . 14.4 t -73.4 -54.3 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.3 mmtt -38.45 -62.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -42.57 -58.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' LYS . 4.2 mt-30 -85.72 -4.24 59.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.418 ' OG ' ' ND2' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -77.11 126.16 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 160.72 31.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.4 p -90.96 135.66 28.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.04 161.94 93.82 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.993 0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HB2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -101.86 105.8 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ASN . 3.4 ttm180 -80.91 135.6 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 81' ' ' LEU . 61.2 mt -137.03 120.68 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -86.18 115.57 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.31 146.06 29.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.85 101.42 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -107.92 104.96 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t -153.11 94.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.021 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.52 -43.06 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.02 -144.7 18.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -178.81 4.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.807 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 166.8 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 t -94.04 128.84 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 p -78.89 100.26 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -112.81 105.5 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.59 117.58 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -152.7 -54.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.33 128.38 40.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.65 134.39 3.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.19 157.72 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 5.7 m -114.46 158.0 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.24 133.22 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.59 110.34 22.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -97.68 115.51 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 120.61 13.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -88.59 -165.04 40.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.97 -162.55 2.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.96 -0.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.577 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -80.67 167.26 33.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.577 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -74.98 179.03 32.08 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.034 -0.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CE2' ' CD2' ' A' ' 81' ' ' LEU . 33.5 m95 -91.64 -56.74 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.59 34.47 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.9 p90 -144.6 150.65 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 63.8 mtt180 -107.7 -177.78 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 21' ' ' ARG . 10.6 pt -153.04 169.42 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -145.49 -178.51 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.6 -138.24 46.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.45 178.46 17.56 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -68.41 -17.87 64.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.85 -45.75 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.25 10.93 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 59.51 24.21 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -122.34 158.45 55.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.03 36.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 HD11 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mm -70.3 100.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.463 ' CG1' HG12 ' A' ' 53' ' ' ILE . 3.8 mt -109.62 150.2 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 37' ' ' VAL . 92.5 t -84.52 138.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.5 p -102.19 -51.38 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 153.84 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 34' ' ' VAL . 78.0 t -137.39 110.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 24.3 m -48.43 124.07 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -68.26 148.35 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' GLU . 4.0 mmp_? 38.2 41.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -105.6 -149.96 18.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -84.66 -52.03 6.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.89 -73.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -40.0 -53.7 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -43.35 -48.42 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.97 35.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 20' ' ' PHE . 22.5 tp -101.0 129.35 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -131.27 163.16 51.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.453 ' CD ' HG21 ' A' ' 37' ' ' VAL . 18.4 Cg_endo -74.96 127.91 11.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -36.92 3.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -45.83 129.26 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.5 mt -88.06 111.82 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.18 107.28 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ALA . 1.7 t -78.2 -57.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.43 170.62 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.2 mt -131.81 103.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 m-20 69.36 20.43 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.66 -7.35 53.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.67 117.94 31.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -39.86 146.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -134.43 13.23 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -31.02 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -121.42 50.4 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.402 ' SD ' ' CB ' ' A' ' 62' ' ' ALA . 15.7 mtt -108.8 117.61 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' N ' ' HB2' ' A' ' 69' ' ' GLU . 1.6 mt -63.41 159.32 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 18.9 t60 -58.71 -23.09 59.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.77 -23.25 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' N ' ' A' ' 66' ' ' LEU . 2.9 mm-40 -72.02 -60.86 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' CB ' HD11 ' A' ' 32' ' ' ILE . . . -60.62 -37.99 83.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 9.0 mm100 -60.97 -43.22 99.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -72.33 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.3 mttp -57.37 -56.68 18.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 18' ' ' TRP . 6.3 mt -50.37 -45.33 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.34 -46.69 75.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -95.13 33.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -95.6 127.38 41.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 143.74 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 1.2 p -88.83 149.34 43.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -75.02 162.05 93.61 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.005 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 18' ' ' TRP . 18.9 tp -94.59 123.04 37.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' ASN . 4.6 ttm180 -117.46 96.89 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.523 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.06 124.45 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' VAL . 20.2 tt0 -85.65 105.44 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 8' ' ' LEU . 4.5 mt -88.63 146.73 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -102.38 100.57 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -118.44 106.36 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -110.01 71.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -155.39 177.4 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.35 143.78 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t 68.91 -69.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.9 m -132.85 127.01 33.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -91.19 -58.21 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.714 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.58 164.45 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.44 128.84 3.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m 66.47 162.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 126.58 0.79 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.64 157.0 24.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 81.8 m -110.43 161.31 15.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.42 150.87 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 98.5 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.531 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.3 t -96.62 106.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.39 105.27 17.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -84.93 -105.48 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.04 176.82 41.81 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.951 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HA ' ' C ' ' A' ' 17' ' ' PRO . . . -39.44 157.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 169.44 74.53 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.967 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.575 ' CH2' ' HB3' ' A' ' 81' ' ' LEU . 62.5 m95 -94.82 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.54 0.82 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 12.3 p90 -144.47 146.95 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -106.08 177.53 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.58 175.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.61 -179.54 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.6 47.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.94 157.53 14.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.37 -39.37 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.07 -55.04 31.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -83.64 13.08 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 m170 53.09 34.07 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 p -133.33 159.73 71.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 144.27 29.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.43 105.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.8 mt -112.43 145.98 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 37' ' ' VAL . 79.4 t -82.8 125.53 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 2.8 p -81.97 -56.29 4.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -150.04 145.63 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.505 HG11 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -125.54 123.2 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m -48.56 136.44 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.83 139.79 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 62.12 14.79 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.69 -150.38 5.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -89.47 -47.1 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . -56.08 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.75 -38.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.95 -53.81 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -170.39 33.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 27.1 tp -93.37 143.72 26.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.88 158.54 33.92 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 18.3 Cg_endo -75.0 129.61 12.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.41 -7.58 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 37.2 m-20 -81.61 131.03 35.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 60.4 mt -87.11 111.03 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.93 109.17 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.66 -48.32 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.92 169.14 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 78.8 mt -131.37 101.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.528 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 1.6 t-20 72.14 12.06 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.27 -11.14 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -94.07 117.39 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.91 144.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.18 9.6 11.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -37.02 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -120.94 56.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.468 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 19.4 mtt -115.49 121.53 42.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -67.59 150.86 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 11.1 t60 -51.72 -22.1 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.34 -28.5 16.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.9 mm-40 -69.18 -56.17 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.76 77.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 14.6 mm-40 -66.32 -43.01 87.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -55.8 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.15 -57.36 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.29 -43.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -43.63 95.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -89.5 19.99 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.528 ' HG ' ' ND2' ' A' ' 58' ' ' ASN . 0.1 OUTLIER -93.91 122.86 36.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.51 168.06 15.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 76.4 p -96.79 140.56 22.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.0 161.73 94.27 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.015 -0.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.575 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 9.7 tp -111.05 106.26 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -81.22 125.63 30.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.0 mt -131.63 117.45 18.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -86.36 115.27 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.62 144.29 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -99.34 101.14 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -108.41 103.55 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.84 79.65 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.8 172.51 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -132.42 -160.59 9.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.41 96.0 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.8 166.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.65 100.41 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -111.32 93.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.89 -171.19 45.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -171.61 160.81 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.016 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -74.1 171.65 13.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.5 132.04 6.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.59 157.31 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.473 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 26.1 m -119.8 159.57 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 2.4 p -129.65 153.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.01 96.72 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 t -81.31 123.88 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.37 116.59 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' PRO . . . -73.69 -167.51 14.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.02 -163.14 3.02 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.994 -0.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -83.55 166.41 34.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 177.82 37.37 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.988 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m95 -86.81 -51.71 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.06 33.5 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.6 p90 -144.61 149.42 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -112.44 -177.3 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 pt -148.02 165.71 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -138.55 -177.35 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.46 -134.26 38.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 110.18 159.11 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HD3' ' CA ' ' A' ' 64' ' ' ASN . 1.9 tpt180 -44.33 -39.74 4.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.29 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' GLY . 38.0 m-85 -89.65 8.6 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.09 37.63 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 p -139.46 161.96 54.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.42 27.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' A' ' 54' ' ' ILE . 3.2 mm -66.45 111.79 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' HG12 ' A' ' 53' ' ' ILE . 9.7 mt -120.45 145.72 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' A' ' 48' ' ' LEU . 54.5 t -79.75 140.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.0 OUTLIER -113.73 -45.03 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.21 140.84 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -142.61 105.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -47.68 126.92 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' GLY . 9.7 tp10 -74.81 146.06 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 40.33 28.77 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -96.59 -141.87 12.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -90.75 -46.26 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.98 -72.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -42.96 -54.54 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -48.72 -42.69 35.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -63.05 -57.24 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER 157.74 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -40.75 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.48 156.81 7.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.75 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . 107.34 -20.42 32.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.36 128.35 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.422 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.8 mt -81.12 110.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 32' ' ' ILE . 52.7 mt -69.42 104.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.55 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.24 173.15 11.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 87.9 mt -131.53 101.22 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 74.02 6.56 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 -12.95 10.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.8 tp60 -90.12 123.2 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -41.97 147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.33 -1.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -40.71 71.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' CA ' ' HD3' ' A' ' 26' ' ' ARG . 5.2 p30 -117.89 60.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 20.3 mtt -120.48 124.85 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -71.54 152.54 42.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -53.72 -21.33 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 -27.76 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 2.2 mm-40 -68.74 -56.94 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -56.62 -44.36 81.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.4 t -70.46 -58.57 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -58.31 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 18' ' ' TRP . 14.5 mt -52.35 -34.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' SER . 12.2 ttt180 -72.67 -43.57 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -93.01 23.16 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.67 134.28 34.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.75 175.4 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 79.3 p -113.59 141.35 25.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 162.16 93.4 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.001 0.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD23 ' CE2' ' A' ' 18' ' ' TRP . 4.2 tp -96.11 117.98 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -94.24 117.19 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 13.2 mt -119.45 118.34 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -85.81 116.8 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 48' ' ' LEU . 12.9 mt -105.18 138.55 41.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.37 100.64 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.94 105.83 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 t -137.92 73.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -135.5 -67.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.39 -144.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.5 t -101.65 -53.14 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 t -98.81 169.06 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -155.9 80.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.979 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.71 130.55 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.81 126.62 7.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.52 125.05 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.57 162.74 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.38 129.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.65 157.21 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 97.9 m -115.15 161.12 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 11.9 p -130.13 158.33 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.21 98.24 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -86.83 156.3 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.76 106.58 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.53 -165.25 1.97 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.5 3.18 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -86.88 165.46 31.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.99 168.54 77.12 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.574 ' CH2' ' CB ' ' A' ' 81' ' ' LEU . 46.9 m95 -79.5 -54.09 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.86 -0.95 10.01 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 22.5 p90 -115.54 146.77 41.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -109.49 -177.18 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 pt -150.08 176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.474 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -152.02 179.42 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.99 -139.71 47.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.54 162.7 15.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.427 HH21 ' CE1' ' A' ' 29' ' ' HIS . 1.5 tpt180 -46.6 -39.52 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 8.4 p-10 -55.95 -52.49 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -83.08 9.65 9.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CE1' HH21 ' A' ' 26' ' ' ARG . 13.8 m170 55.85 25.95 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.8 p -126.25 158.89 65.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 149.62 36.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.15 108.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -117.75 144.78 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 50' ' ' PRO . 79.3 t -80.33 126.52 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 7.7 p -83.45 -55.65 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -153.29 150.46 28.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.602 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.18 132.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -48.39 136.81 12.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -80.98 142.32 33.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 52.31 22.94 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.63 -138.53 6.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 17' ' ' PRO . 2.1 mttp -85.75 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 37' ' ' VAL . . . -51.27 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -37.96 -48.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.32 -55.18 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 10' ' ' VAL . . . -55.01 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.49 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' CG ' ' A' ' 20' ' ' PHE . 33.8 tp -103.75 150.31 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -155.87 156.97 31.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -7.88 13.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.46 138.63 35.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 33' ' ' ILE . 78.9 mt -93.01 118.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.51 118.35 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.5 -45.96 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.38 171.15 14.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 73.1 mt -132.86 101.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' ND2' ' HG ' ' A' ' 77' ' ' SER . 0.7 OUTLIER 73.04 9.63 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.4 -10.34 22.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 120.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.4 m -40.0 138.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.36 19.12 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -51.32 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -108.75 50.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' CD1' ' A' ' 57' ' ' ILE . 5.9 mtt -99.65 122.45 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -65.61 153.15 42.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 21.3 t60 -54.39 -21.9 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.18 -25.87 17.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 3.0 mm-40 -69.95 -59.05 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.98 -32.23 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 10.1 mm-40 -69.76 -45.65 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -59.3 -53.69 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.413 HG21 ' NE1' ' A' ' 18' ' ' TRP . 23.3 mt -53.91 -50.42 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -49.57 76.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.72 -7.55 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -71.22 121.65 18.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.36 173.73 8.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 30.6 t -101.36 139.56 20.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.97 161.24 95.24 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.008 -0.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.574 ' CB ' ' CH2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -106.64 114.48 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -93.24 144.29 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . 85.2 mt -142.55 117.74 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.4 114.71 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.81 152.35 21.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.3 101.05 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -130.42 113.37 14.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m -119.28 162.96 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.95 156.7 15.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 117.22 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 45.38 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.3 p -89.7 151.58 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.11 151.55 44.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -93.05 152.24 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.62 -88.6 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 59.79 160.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.79 142.5 23.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.74 128.87 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -103.64 157.54 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 62.6 m -115.17 160.97 19.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 85' ' ' LEU . 22.0 t -126.49 155.45 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.95 94.45 3.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.1 t -86.18 147.01 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.32 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.32 -167.38 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.71 3.72 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.027 -0.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' HA ' ' A' ' 17' ' ' PRO . . . -90.41 164.52 26.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -75.0 177.97 36.72 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.026 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 32.1 m95 -86.12 -50.7 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.36 32.13 2.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -144.42 150.55 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 0.722 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -113.5 -177.24 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.6 pt -144.64 169.86 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.482 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.68 -178.19 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.77 -133.5 26.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.72 155.33 10.67 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -46.08 -33.3 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.37 -48.52 78.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -88.58 12.12 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.19 34.06 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.02 159.52 72.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.55 37.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -74.37 110.14 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.2 mt -118.42 143.2 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 48' ' ' LEU . 60.8 t -75.2 138.02 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 1.4 p -104.87 -47.86 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 147.19 46.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.447 HG23 ' CA ' ' A' ' 49' ' ' ARG . 88.0 t -143.73 110.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -54.59 127.98 30.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -73.9 141.73 46.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.85 34.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -101.82 -138.5 10.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -87.07 -54.2 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.85 -70.41 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.15 -47.94 6.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 41' ' ' GLY . . . -47.23 -44.12 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -86.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.16 37.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -94.71 164.01 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' CA ' HG23 ' A' ' 37' ' ' VAL . 6.6 mtt180 -173.92 155.55 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.31 13.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.03 -18.81 30.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.7 125.37 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.796 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.64 110.86 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.1 mt -72.42 105.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' GLN . 1.7 t -75.5 -47.97 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.56 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 47.8 mt -128.58 101.13 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.8 t-20 72.81 5.81 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.0 -13.14 10.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.408 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.9 tp60 -91.3 119.93 31.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -40.74 140.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.56 10.66 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.23 99.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -115.35 53.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.408 ' CE ' ' HG2' ' A' ' 60' ' ' GLN . 12.4 mtt -109.1 125.88 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -72.51 150.5 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -53.27 -20.88 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.86 17.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 1.2 mm-40 -70.19 -58.97 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . . . -61.4 -45.75 93.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -46.71 -49.02 20.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' LYS . 42.2 t -75.96 -53.98 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' SER . 9.5 mmtm -39.97 -65.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 77' ' ' SER . 9.1 mt -39.72 -55.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -50.64 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.32 -8.99 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -72.96 131.58 42.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.24 -179.46 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 38.1 t -108.57 139.08 20.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 161.47 94.78 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.004 -0.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' CD2' ' CE2' ' A' ' 18' ' ' TRP . 5.3 tp -102.77 101.92 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 ttm180 -75.46 133.91 40.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -131.74 116.37 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' VAL . 26.1 tt0 -90.16 102.94 15.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 10' ' ' VAL . 5.7 mt -92.89 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.83 100.67 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.94 102.66 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -138.04 81.74 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.3 172.49 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.61 166.3 12.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -86.68 167.5 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -106.26 122.17 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.65 156.76 27.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 47.6 m -109.33 161.62 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 83' ' ' LEU . 12.4 p -136.05 155.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.81 91.71 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.28 155.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.02 166.46 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.55 -174.16 20.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.84 5.99 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.041 0.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -63.27 164.21 15.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.786 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.39 39.23 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.987 -2.506 . . . . 0.0 110.993 -0.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.536 ' HE1' HG22 ' A' ' 74' ' ' ILE . 53.9 m95 -91.06 -51.65 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 28.11 4.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 10.0 p90 -144.61 153.44 41.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -113.64 172.78 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.4 pt -143.7 172.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -150.9 176.34 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.86 -142.0 44.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 110.51 162.99 18.66 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 3.1 tpm_? -45.71 -33.37 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.62 -50.92 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.55 6.31 41.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.47 30.05 19.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.23 160.94 57.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.02 143.74 29.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.5 99.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.5 mt -109.3 146.75 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.0 134.87 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' HB2' ' A' ' 23' ' ' SER . 6.7 p -96.26 -51.7 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 161.4 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.5 97.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.44 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -43.23 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.41 -51.96 24.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 173.86 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.763 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.2 tp -98.59 130.55 45.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.03 161.21 63.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.26 9.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.75 -30.12 6.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 11.5 m-20 -49.62 127.32 15.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.766 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 33' ' ' ILE . 87.4 mt -87.31 112.39 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.01 110.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.89 -48.14 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.49 177.56 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.946 HD12 ' SD ' ' A' ' 65' ' ' MET . 50.6 mt -132.96 101.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 71.82 6.5 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.67 5.56 13.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 57' ' ' ILE . 1.7 tt0 -109.84 117.57 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -38.77 140.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.25 10.15 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.92 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -116.94 63.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HD12 ' A' ' 57' ' ' ILE . 27.4 mtt -123.06 123.03 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.679 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.9 mt -68.58 150.94 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -52.58 -23.08 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.41 -27.13 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.679 ' HG3' HD12 ' A' ' 66' ' ' LEU . 6.3 mm-40 -69.46 -58.71 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.517 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.07 -39.4 74.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.09 -62.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -55.21 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.536 HG22 ' HE1' ' A' ' 18' ' ' TRP . 42.6 mt -55.14 -62.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -43.45 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.68 36.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.594 ' CB ' HD13 ' A' ' 81' ' ' LEU . 3.3 t -115.24 117.65 31.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.17 168.38 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 3.7 p -101.23 141.63 23.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 161.58 94.56 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.02 -2.491 . . . . 0.0 111.026 -0.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.1 tp -105.7 108.06 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 mtm180 -77.24 133.02 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 57' ' ' ILE . 70.4 mt -140.64 119.18 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 tt0 -86.15 114.94 23.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.71 141.75 34.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.589 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -97.43 101.4 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -109.03 104.65 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.3 156.46 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 84.8 m -107.15 161.69 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.2 p -137.25 149.56 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.21 88.99 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.64 150.23 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.96 164.61 13.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -148.34 -168.8 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 -166.15 4.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.005 -0.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -66.53 164.39 32.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.814 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.94 173.92 55.31 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.054 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -87.44 -63.49 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 113.01 36.26 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' ' 74' ' ' ILE . 9.6 p90 -144.94 151.8 39.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 0.803 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 34' ' ' VAL . 43.7 mtt-85 -114.74 171.58 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.6 pt -142.81 169.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -146.12 178.6 8.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.29 -140.37 48.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.51 159.51 15.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -43.16 -38.6 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -54.57 -54.22 44.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -84.72 6.53 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 m80 58.76 31.49 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -129.04 159.82 66.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 143.77 29.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.74 106.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -116.45 145.14 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ARG . 90.4 t -80.58 135.55 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 43.7 p -99.36 -48.42 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 158.15 33.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.9 t -142.57 102.66 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 53.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.98 -49.42 20.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 17.8 t0 -172.63 34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.481 HD23 ' HB1' ' A' ' 43' ' ' ALA . 28.5 tp -90.76 125.44 35.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.64 158.74 63.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.43 -17.11 12.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.41 124.01 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 ' CG1' ' A' ' 33' ' ' ILE . 86.7 mt -81.59 112.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.93 110.78 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.32 -47.76 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.67 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.809 HD12 ' SD ' ' A' ' 65' ' ' MET . 72.4 mt -131.39 102.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t-20 71.91 8.09 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.91 1.88 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -105.1 117.55 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.2 m -38.74 142.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.78 2.83 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -34.93 66.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -121.82 62.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.809 ' SD ' HD12 ' A' ' 57' ' ' ILE . 25.5 mtt -121.53 130.17 53.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt -71.99 149.98 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.25 -21.31 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -24.11 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.8 mm-40 -71.69 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.571 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -53.19 -35.63 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -63.94 -46.47 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.8 t -67.46 -62.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.08 -57.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.664 HG21 ' HZ ' ' A' ' 20' ' ' PHE . 66.4 mt -49.76 -65.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -57.98 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.502 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -53.5 141.78 24.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.88 -170.77 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 2.1 p -112.87 137.22 21.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 161.34 95.02 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.957 -2.518 . . . . 0.0 110.967 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 83' ' ' LEU . 2.3 tp -105.01 106.93 17.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.0 mtm105 -78.77 128.36 33.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 57' ' ' ILE . 83.2 mt -138.74 121.05 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.6 tt0 -86.05 116.7 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.62 143.33 32.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.597 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.19 100.96 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -108.44 102.52 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.05 157.08 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 56.2 m -113.74 156.54 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 82' ' ' ARG . 11.2 p -129.68 155.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.65 102.32 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.52 110.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.5 109.11 6.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -60.15 -162.64 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.96 -162.06 2.67 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.98 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -96.22 166.04 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.82 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.02 175.83 46.15 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.935 -2.527 . . . . 0.0 111.03 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 20.2 m95 -83.78 -55.22 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.41 35.75 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 6.9 p90 -144.72 146.48 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.09 -177.37 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.766 HD11 ' HG2' ' A' ' 71' ' ' GLN . 20.8 pt -147.7 167.39 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.515 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.55 178.87 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.99 -132.96 45.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.55 -178.78 18.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 64' ' ' ASN . 4.0 tpt180 -67.04 -36.17 81.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -40.45 96.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -88.47 4.48 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 m80 58.17 33.23 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p -134.85 161.61 62.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.12 27.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 54' ' ' ILE . 2.8 mm -66.24 108.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.7 mt -118.72 145.07 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.7 t -78.95 140.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 23' ' ' SER . 23.1 p -106.02 -50.29 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.46 155.47 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.589 HG11 ' O ' ' A' ' 48' ' ' LEU . 73.7 t -143.61 99.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -44.34 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.32 -48.64 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -73.12 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.72 35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' HG11 ' A' ' 37' ' ' VAL . 26.4 tp -86.88 126.66 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 156.85 74.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.495 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 121.28 -25.48 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -55.9 128.83 37.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 31' ' ' PRO . 69.1 mt -84.67 114.77 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 32' ' ' ILE . 22.0 mt -75.06 115.02 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.2 t -85.84 -45.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.6 175.08 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.938 HD12 ' SD ' ' A' ' 65' ' ' MET . 67.2 mt -135.02 101.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 2.1 t-20 79.08 0.09 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.07 -9.6 8.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -96.08 128.89 43.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 150.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -130.99 12.28 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -39.4 85.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 3.9 m-20 -114.68 46.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.938 ' SD ' HD12 ' A' ' 57' ' ' ILE . 9.0 mtt -105.21 122.75 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -66.67 152.03 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -53.46 -22.21 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.1 -25.93 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.1 mm-40 -69.16 -56.83 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -62.6 -31.66 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 22' ' ' ILE . 11.2 mm-40 -72.43 -38.65 68.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 t -78.39 -42.75 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -59.64 -56.16 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.472 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 16.1 mt -50.16 -53.33 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -52.92 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.87 -12.48 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.877 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -64.3 119.87 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 170.53 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 88.2 p -97.2 138.99 21.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.24 95.23 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.016 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.877 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -105.99 113.44 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.646 ' N ' HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.19 141.01 28.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 81' ' ' LEU . 90.1 mt -141.07 119.26 12.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.8 tt0 -85.76 109.05 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 52' ' ' ASP . 8.4 mt -96.74 148.39 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.643 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -103.14 101.2 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -112.8 102.35 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -113.89 156.57 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.505 HG21 ' NE ' ' A' ' 82' ' ' ARG . 93.4 m -108.83 159.52 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 83' ' ' LEU . 5.7 p -130.09 148.36 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.42 88.6 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 73.0 t -66.55 147.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.7 96.59 6.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -57.09 -160.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 -161.81 2.59 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.022 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -88.92 164.3 31.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.93 175.72 46.54 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.023 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 31.9 m95 -83.78 -52.15 6.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.37 29.96 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.9 p90 -137.75 148.49 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -113.14 174.89 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -143.07 170.92 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -144.16 -178.7 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.79 -139.13 46.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.26 159.85 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -47.45 -31.63 4.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -92.87 8.33 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.15 29.03 18.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -127.54 160.08 62.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.01 144.76 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -68.62 101.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.9 mt -110.78 146.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.18 137.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 76.7 p -99.92 -52.45 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 159.19 30.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.81 97.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.34 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -70.82 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.4 34.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.537 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -89.85 132.49 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -134.84 159.41 72.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.37 -25.14 9.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD2' HD13 ' A' ' 85' ' ' LEU . 1.8 m-20 -55.25 126.49 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.796 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 93.0 mt -84.05 110.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.17 110.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.26 -47.75 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.13 172.83 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.902 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -131.82 101.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER 71.59 8.36 6.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 -11.29 12.79 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.473 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -92.75 120.11 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -39.94 145.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 57' ' ' ILE . . . -122.03 6.27 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -42.85 96.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -114.75 55.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.902 ' SD ' HD12 ' A' ' 57' ' ' ILE . 14.9 mtt -114.43 123.55 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -69.48 153.23 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.02 -22.97 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.22 -26.94 18.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.788 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 mm-40 -69.94 -58.09 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -59.58 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -68.49 -47.69 66.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.9 t -63.36 -57.42 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -46.93 -58.67 3.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 70' ' ' ALA . 7.0 mt -47.73 -56.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -52.61 -54.88 27.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.73 -7.93 31.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -75.8 134.55 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.96 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.79 -171.55 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 23.0 t -111.46 139.72 22.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 160.96 95.78 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.016 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD13 ' OG ' ' A' ' 77' ' ' SER . 5.7 tp -109.17 107.79 18.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.505 ' NE ' HG21 ' A' ' 9' ' ' THR . 3.0 ttp180 -80.65 130.71 35.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.733 ' O ' HG12 ' A' ' 10' ' ' VAL . 88.3 mt -139.68 118.84 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.8 tt0 -86.16 116.37 24.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.452 HD13 ' OD2' ' A' ' 52' ' ' ASP . 13.5 mt -103.28 143.57 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.11 101.14 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -108.88 104.21 13.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.28 157.02 25.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 83.4 m -110.18 156.96 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 83' ' ' LEU . 2.6 p -124.41 146.44 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.25 89.54 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 61.1 t -66.72 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.83 94.33 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -59.35 -159.88 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -162.07 2.67 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.52 164.46 29.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.0 168.0 78.75 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.2 m95 -77.31 -61.09 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 114.95 30.07 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -135.26 149.03 49.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -110.93 175.74 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 pt -144.85 170.01 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -143.75 179.36 7.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.06 -146.54 35.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 118.64 162.77 12.27 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.2 tpm_? -46.02 -36.54 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.95 89.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' GLY . 98.0 m-85 -94.81 0.19 54.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 63.92 19.4 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -117.28 161.08 34.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 141.98 27.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.22 108.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -117.97 146.01 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 89.1 t -79.41 135.9 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 20.0 p -99.96 -50.5 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.82 33.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -143.11 101.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 14.1 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.37 -46.51 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.06 -44.55 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -74.75 -94.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -170.48 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -88.4 129.77 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -131.81 158.71 74.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.3 Cg_endo -74.97 121.74 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 118.07 -21.28 10.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 121.07 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.478 HG12 ' CG1' ' A' ' 33' ' ' ILE . 67.4 mt -78.43 110.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.29 109.83 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -76.84 -48.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.77 175.73 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.962 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -135.62 101.76 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 1.7 t30 76.64 7.17 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.65 22.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.24 125.9 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -39.41 144.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -123.33 4.11 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -40.11 86.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -114.34 61.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.962 ' SD ' HD12 ' A' ' 57' ' ' ILE . 23.9 mtt -121.56 122.15 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.677 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.1 mt -69.24 151.47 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -52.41 -23.11 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.64 -25.91 18.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.677 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.1 mm-40 -72.01 -61.15 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.28 -32.43 66.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -67.75 -45.21 75.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.8 t -67.72 -56.67 8.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -44.29 -57.86 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 70' ' ' ALA . 5.7 mt -49.25 -55.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -43.0 75.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.95 -6.89 53.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -80.83 137.03 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.09 -166.06 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 94.2 p -116.43 139.33 25.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.65 94.42 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.026 -0.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 83' ' ' LEU . 3.2 tp -107.06 115.68 30.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.4 ttm180 -89.04 126.65 35.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 57' ' ' ILE . 73.5 mt -136.46 120.96 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.5 tt0 -87.31 114.22 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -99.96 141.24 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -96.68 101.08 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.14 105.62 15.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -114.51 157.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 41.6 m -117.69 160.2 21.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 85' ' ' LEU . 13.1 t -115.71 153.43 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -131.73 89.71 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.38 155.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.7 101.08 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.62 -171.62 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.91 5.22 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.958 0.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.33 164.97 35.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.825 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.0 179.33 31.02 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.016 0.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 34.8 m95 -88.32 -53.26 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 107.986 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.96 32.3 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.5 p90 -144.82 149.24 35.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -109.9 -177.28 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.667 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.3 pt -149.91 172.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 8.1 t -144.11 -178.01 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.31 -134.01 45.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.93 -177.78 17.98 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -67.1 -36.75 82.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -60.54 -39.47 88.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 30' ' ' THR . 77.4 m-85 -95.34 11.91 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 51.34 21.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.569 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.8 p -117.29 158.57 44.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 142.92 28.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 54' ' ' ILE . 1.8 mm -66.24 105.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.19 145.56 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.93 135.88 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 38.4 p -98.19 -51.09 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 159.78 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' O ' ' A' ' 48' ' ' LEU . 94.6 t -142.73 112.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -43.14 -29.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.19 -55.1 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -60.19 -72.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER 163.36 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.623 ' O ' HG11 ' A' ' 37' ' ' VAL . 22.7 tp -105.66 129.21 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -127.34 156.01 75.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.62 6.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 122.84 -30.21 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.01 140.97 19.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.7 mt -97.13 117.69 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 32' ' ' ILE . 23.4 mt -74.29 111.21 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -79.63 -46.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 60' ' ' GLN . . . -141.79 178.41 7.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.855 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.4 mt -135.52 103.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.826 ' ND2' HG22 ' A' ' 57' ' ' ILE . 2.2 m-20 78.6 3.36 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.04 -3.91 16.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 7.1 tt0 -100.3 130.94 46.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -39.53 147.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -132.55 11.29 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.62 88.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -108.4 59.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.855 ' SD ' HD12 ' A' ' 57' ' ' ILE . 21.9 mtt -117.89 113.05 21.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -58.16 150.01 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.3 t60 -51.23 -22.69 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.2 -28.33 17.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.796 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.8 mm-40 -69.38 -57.28 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -62.72 -29.11 70.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.7 mm-40 -74.41 -39.61 62.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 40.2 t -74.08 -46.71 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.11 -53.47 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.456 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 17.4 mt -56.95 -43.83 81.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -74.14 -12.92 60.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' SER . 5.5 mm-40 -110.97 4.37 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -77.45 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.8 160.7 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 24.8 t -90.98 135.7 28.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 161.82 94.08 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.03 -0.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -98.62 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.629 ' N ' HD22 ' A' ' 81' ' ' LEU . 6.5 mtt180 -86.42 139.68 30.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.704 HD11 HD11 ' A' ' 81' ' ' LEU . 86.5 mt -141.94 118.74 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.3 tt0 -85.86 111.06 19.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 10' ' ' VAL . 12.1 mt -98.7 150.85 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -106.76 100.7 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.13 104.23 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.94 157.3 23.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 46.7 m -114.89 161.93 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 85' ' ' LEU . 9.9 t -122.18 148.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 88.07 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 ' CE3' ' A' ' 18' ' ' TRP . 6.8 t -72.47 156.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.89 97.94 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.48 -168.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.36 4.12 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.011 0.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.831 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.79 165.89 23.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.831 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.09 40.56 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.407 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 33.8 m95 -85.69 -60.0 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.9 37.8 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 5.1 p90 -144.3 152.34 40.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.7 mtt180 -112.93 -177.53 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 21' ' ' ARG . 12.0 pt -153.87 168.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.71 178.91 7.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.47 -138.52 48.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.75 179.19 19.59 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.09 -36.67 82.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.83 -39.32 91.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -95.7 12.05 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 m80 50.45 25.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.6 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.4 p -123.44 159.68 53.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.95 144.24 30.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.33 104.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.58 145.18 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 79.9 t -80.85 138.57 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 81.3 p -102.84 -49.38 3.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 157.07 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' CA ' ' A' ' 49' ' ' ARG . 28.7 t -143.7 103.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 17.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -40.22 -40.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.56 -48.34 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.34 -78.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 171.82 41.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.3 tp -92.57 141.06 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.528 ' CA ' HG21 ' A' ' 37' ' ' VAL . 5.5 mtt-85 -141.46 157.38 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.5 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.52 -27.75 5.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' HD13 ' A' ' 85' ' ' LEU . 23.5 m-20 -55.06 124.08 15.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -80.86 111.94 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 32' ' ' ILE . 10.9 mt -71.05 109.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.87 -49.39 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.68 173.24 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.876 HD12 ' SD ' ' A' ' 65' ' ' MET . 63.0 mt -130.44 101.25 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER 72.98 7.89 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.5 -10.94 12.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.7 OUTLIER -92.73 118.69 31.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.55 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.97 4.38 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.12 70.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 6.3 m-20 -122.19 58.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.7 mtt -119.22 121.91 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.1 mt -68.03 151.0 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.81 -21.94 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.65 -25.98 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.813 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.1 mm-40 -69.63 -57.55 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.8 -40.35 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.2 -47.33 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 18.7 t -66.24 -60.53 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -58.05 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.8 -49.67 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -63.64 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' SER . 7.6 mt-30 -102.34 10.86 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.682 ' OG ' HD13 ' A' ' 81' ' ' LEU . 4.5 t -93.79 134.76 35.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.44 -159.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 11.5 p -129.48 139.97 37.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.01 161.19 95.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.975 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD13 ' OG ' ' A' ' 77' ' ' SER . 2.5 tp -105.25 116.55 32.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -86.38 129.66 34.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 81' ' ' LEU . 77.0 mt -134.96 123.08 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.8 tt0 -91.12 122.58 33.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 10' ' ' VAL . 17.3 mt -110.44 140.08 45.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -98.3 100.94 12.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.61 101.2 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.81 157.62 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.0 m -114.41 161.73 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 85' ' ' LEU . 10.9 t -122.05 148.85 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.74 88.07 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 18' ' ' TRP . 21.8 t -78.54 156.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.78 88.96 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -56.24 -160.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -165.36 4.1 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 -0.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -77.56 165.56 50.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.845 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 170.56 71.51 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CE2' HD22 ' A' ' 81' ' ' LEU . 54.0 m95 -85.22 -61.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' THR . . . 115.2 35.04 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 16.5 p90 -144.84 151.51 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.7 mtt180 -115.46 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.441 HD11 ' HG2' ' A' ' 71' ' ' GLN . 9.2 pt -136.36 174.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 35' ' ' THR . 2.7 t -151.2 -176.97 5.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.47 -137.18 45.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.48 175.09 19.56 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -59.1 -34.22 71.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.18 -46.45 87.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -87.05 9.65 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.62 28.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.581 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.3 p -128.78 160.51 62.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 144.53 30.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.52 101.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.3 mt -110.88 150.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 48' ' ' LEU . 99.5 t -87.76 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 23' ' ' SER . 5.5 p -90.05 -50.62 5.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 164.15 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' O ' ' A' ' 48' ' ' LEU . 88.1 t -143.68 96.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLY . 22.4 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -46.0 -37.9 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 -44.95 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.53 -79.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 41.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.885 ' O ' HG11 ' A' ' 37' ' ' VAL . 59.6 tp -91.23 132.45 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -133.33 158.73 74.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.95 9.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.69 -14.63 12.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.6 124.53 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 33' ' ' ILE . 75.5 mt -82.67 113.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.76 111.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -80.13 -49.1 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.44 170.06 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.942 HD12 ' SD ' ' A' ' 65' ' ' MET . 55.5 mt -130.06 101.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.83 7.14 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.59 -13.76 10.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.1 tp60 -91.43 120.87 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.64 147.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -126.53 12.49 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.94 -34.11 75.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -123.16 47.33 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.942 ' SD ' HD12 ' A' ' 57' ' ' ILE . 13.5 mtt -106.75 106.28 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.68 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.3 mt -51.12 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -63.02 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -21.98 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.68 ' HG3' HD12 ' A' ' 66' ' ' LEU . 11.3 mm-40 -70.73 -59.39 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.62 -39.27 76.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG2' HD11 ' A' ' 22' ' ' ILE . 21.3 mm-40 -61.96 -53.03 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -55.71 -58.08 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -56.35 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.9 mt -51.76 -41.82 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -39.08 92.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -99.44 36.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.751 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -109.93 127.73 54.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.05 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 98.6 p -111.62 140.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 161.52 94.67 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.989 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 77' ' ' SER . 5.1 tp -105.53 100.27 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.6 ttm180 -71.0 133.9 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 57' ' ' ILE . 84.3 mt -138.69 119.33 14.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.5 tt0 -90.94 114.6 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.807 HD11 HG21 ' A' ' 10' ' ' VAL . 9.3 mt -101.0 142.17 32.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -95.72 100.83 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.68 106.42 11.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.55 156.31 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 31.8 m -106.86 161.52 14.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.7 p -136.75 146.02 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.43 109.9 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 18' ' ' TRP . 28.2 t -107.22 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -94.83 106.95 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -87.84 -104.44 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.485 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.01 177.12 40.48 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.46 158.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.09 168.89 76.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.934 -2.527 . . . . 0.0 110.982 0.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.633 ' CE3' HG12 ' A' ' 12' ' ' VAL . 58.4 m95 -94.61 -67.92 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 117.56 37.76 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 14.9 p90 -140.55 151.37 44.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -115.83 167.17 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.7 pt -134.51 173.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -146.34 179.52 7.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.33 -131.01 51.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 105.43 169.69 23.79 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' CD ' ' HB3' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -54.25 -38.37 65.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.83 -45.66 85.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -90.89 12.31 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 m80 52.69 30.27 8.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.5 p -129.13 159.72 67.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.98 144.13 29.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.757 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.34 102.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 ' HG2' ' A' ' 31' ' ' PRO . 5.8 mt -111.61 145.84 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.0 t -79.06 134.98 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.8 p -97.49 -50.86 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 160.43 31.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.473 HG11 ' O ' ' A' ' 48' ' ' LEU . 74.3 t -143.35 105.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 8.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -44.05 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.47 -51.18 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.0 38.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' HG11 ' A' ' 37' ' ' VAL . 48.8 tp -95.89 127.82 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 157.93 67.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.77 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 117.24 -28.31 7.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.133 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.78 128.94 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.46 HG12 ' CG1' ' A' ' 33' ' ' ILE . 70.5 mt -85.69 113.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 32' ' ' ILE . 40.1 mt -70.13 111.38 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.2 t -79.24 -48.87 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.6 172.38 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.8 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.9 mt -131.81 101.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 71.59 8.61 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 -10.69 13.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.18 119.32 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 0.804 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.71 144.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.78 10.9 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.74 79.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' HB3' ' CD ' ' A' ' 26' ' ' ARG . 69.0 m-80 -123.22 57.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.8 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.7 mtt -113.14 124.89 53.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.0 mt -65.8 151.2 47.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.11 -24.56 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.38 -27.05 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.7 mm-40 -68.48 -54.86 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -64.95 -48.43 74.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' GLN . 25.3 t -60.86 -58.14 9.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.06 -57.02 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.475 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 5.8 mt -53.17 -54.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -59.71 -18.54 43.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' SER . 4.0 mm-40 -114.58 24.46 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.732 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -101.38 123.91 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.13 176.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.6 p -106.73 140.05 20.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.54 94.63 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.01 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.732 HD13 ' OG ' ' A' ' 77' ' ' SER . 4.9 tp -111.0 104.42 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -79.55 128.33 33.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.693 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.6 mt -133.86 122.13 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.3 tt0 -86.09 121.52 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.37 139.17 43.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -97.09 101.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.58 106.11 16.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -106.9 157.67 17.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.6 m -118.99 152.02 37.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 7.2 p -116.63 155.77 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.87 94.91 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.39 155.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.13 99.0 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.92 -164.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.424 1.077 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.98 2.95 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.992 -0.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -93.36 166.26 16.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.851 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.99 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.549 ' CE2' HD22 ' A' ' 81' ' ' LEU . 24.2 m95 -79.58 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.61 38.32 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 13.4 p90 -145.28 145.23 31.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' C ' HG23 ' A' ' 22' ' ' ILE . 17.8 mtt180 -101.5 -177.69 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' C ' ' A' ' 21' ' ' ARG . 7.0 pt -154.49 174.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -151.97 177.22 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.84 -144.84 49.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.96 156.63 12.46 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.5 tpm_? -39.32 -35.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -55.38 -58.24 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -84.72 12.8 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.5 m80 53.25 29.85 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.2 p -124.71 159.26 59.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.527 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.1 Cg_endo -75.0 143.35 28.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -66.13 101.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mt -109.57 146.47 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 50' ' ' PRO . 72.6 t -83.43 124.09 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -79.61 -56.92 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.15 145.94 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -124.77 129.34 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.366 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -47.25 84.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.43 -38.19 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.55 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.49 29.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' HB1' ' A' ' 43' ' ' ALA . 26.4 tp -97.3 152.7 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -160.95 158.6 24.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.587 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.1 Cg_endo -75.04 129.32 12.2 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.88 -4.52 25.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CG ' HD13 ' A' ' 85' ' ' LEU . 8.6 m-20 -83.71 125.79 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 83.2 mt -82.96 111.36 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.09 109.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.74 -48.58 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.15 173.29 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.2 mt -133.84 101.35 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER 72.94 11.97 5.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.09 -6.15 27.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -98.39 118.44 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.63 148.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 7.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.19 69.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 3.5 p30 -123.35 60.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 57' ' ' ILE . 28.6 mtt -121.4 120.31 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.5 mt -67.79 153.5 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.01 -21.44 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.56 -27.41 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.787 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -68.37 -56.84 7.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.72 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.25 -42.82 99.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.2 t -69.32 -54.69 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -57.47 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.8 mt -53.52 -44.07 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -66.16 -29.22 69.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.8 mt-30 -109.75 39.88 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.631 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -110.85 126.37 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.86 157.91 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 39.8 t -93.03 143.7 27.2 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.95 161.77 94.17 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 83' ' ' LEU . 3.0 tp -104.49 110.48 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.2 ttm180 -88.5 117.14 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.78 HD11 HD21 ' A' ' 81' ' ' LEU . 47.6 mt -123.07 118.17 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 23.4 tt0 -86.35 114.52 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 52' ' ' ASP . 15.9 mt -101.61 143.68 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.605 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.23 101.24 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -111.64 103.93 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.85 156.8 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.1 m -110.65 161.64 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 83' ' ' LEU . 13.5 p -136.63 155.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 96.56 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG12 ' CE3' ' A' ' 18' ' ' TRP . 25.1 t -90.64 99.29 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -90.61 102.8 15.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -85.39 -105.61 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.482 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 179.02 32.1 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.004 -0.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -38.93 157.45 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 171.74 66.56 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.037 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.695 ' CE3' HG12 ' A' ' 12' ' ' VAL . 59.9 m95 -97.87 -66.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.24 42.77 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 19.9 p90 -145.15 150.29 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -113.37 166.54 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.3 pt -137.18 166.65 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.21 176.86 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.981 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.69 -134.05 49.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 109.31 166.34 20.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 1.3 tpm_? -51.04 -39.91 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 0.735 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -49.51 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -86.23 10.29 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.91 21.2 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.6 p -119.64 159.02 47.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.513 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.03 145.48 31.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.62 102.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.513 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -111.84 145.95 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -79.85 141.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.2 p -106.09 -50.53 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.35 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 48' ' ' LEU . 76.3 t -141.09 101.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ALA . 8.4 tm-20 -38.81 -44.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.85 -50.73 10.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -67.98 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 176.69 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 32.0 tp -95.06 126.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -126.17 158.77 65.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.25 -26.33 8.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.01 129.53 38.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.6 mt -87.17 111.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.91 109.83 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.74 -47.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.91 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.0 mt -128.62 102.5 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 73.54 5.46 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.52 -4.53 13.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -100.08 117.54 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 143.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.98 2.8 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -26.6 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 4.1 p30 -127.26 53.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.9 mtt -116.6 122.11 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -68.45 152.14 45.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -53.18 -21.3 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.06 -27.49 16.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.809 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.4 mm-40 -70.15 -59.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.75 -34.68 69.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -66.82 -46.41 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -64.11 -58.5 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -58.62 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.1 mt -50.33 -49.74 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.46 78.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -97.24 24.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.812 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -99.05 121.52 41.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 172.04 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 29.2 t -101.7 139.97 20.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.01 161.39 94.94 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.959 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.812 HD13 ' OG ' ' A' ' 77' ' ' SER . 7.6 tp -110.08 103.63 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 ttt180 -78.02 133.94 37.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 57' ' ' ILE . 78.6 mt -140.72 120.64 13.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.8 tt0 -87.26 118.46 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.57 143.59 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.82 100.81 11.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -110.75 104.93 13.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.97 156.65 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 92.8 m -111.42 161.48 16.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 47' ' ' ASP . 12.6 p -128.37 155.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.78 93.34 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -76.91 156.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.2 106.54 14.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.8 -167.18 7.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.7 3.72 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.008 -0.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -84.97 164.95 39.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.823 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.5 Cg_endo -74.99 168.36 77.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.057 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.755 ' CZ2' HD22 ' A' ' 81' ' ' LEU . 39.2 m95 -79.14 -49.57 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.36 15.79 7.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.2 p90 -132.89 146.51 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 -177.2 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 ' HG2' ' A' ' 71' ' ' GLN . 17.8 pt -149.28 173.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.596 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -150.83 176.74 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.17 -140.24 46.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 116.48 -173.68 14.84 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.7 -34.81 77.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.43 -53.66 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -82.12 8.23 11.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.9 m80 54.68 31.64 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.98 158.62 70.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 144.87 30.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.2 110.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.487 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.1 mt -117.45 148.88 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 50' ' ' PRO . 70.7 t -82.74 126.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.596 HG22 ' HB2' ' A' ' 23' ' ' SER . 29.3 p -84.97 -54.74 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 149.8 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.28 134.56 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB3' HG23 ' A' ' 37' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.64 -51.22 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -46.86 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 10' ' ' VAL . 12.2 m-20 -172.6 35.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 20' ' ' PHE . 16.8 tp -99.27 147.22 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HA ' HG11 ' A' ' 37' ' ' VAL . 2.1 mtt180 -155.15 157.27 31.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.99 122.86 7.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.24 -13.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.41 135.69 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.4 mt -92.39 112.4 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.86 111.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.25 -47.54 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.33 175.82 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.896 HD12 ' SD ' ' A' ' 65' ' ' MET . 53.8 mt -131.05 101.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 70.0 9.07 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.8 -5.32 18.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -97.75 119.09 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 4.6 p -38.7 147.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.04 5.0 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.9 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -127.76 54.22 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.896 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.4 mtt -114.21 117.43 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.766 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -64.12 151.07 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.2 t60 -51.89 -22.42 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.46 -27.25 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.2 mm-40 -70.29 -58.28 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -61.47 -35.76 78.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 22' ' ' ILE . 8.6 mm-40 -62.42 -50.99 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t -65.96 -55.99 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -46.34 -56.77 5.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' SER . 11.5 mt -50.47 -60.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.23 -56.81 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.91 -14.2 20.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.702 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -68.57 125.08 25.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.02 -176.01 4.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 78.3 p -109.7 140.7 22.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.26 95.2 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.949 0.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CZ2' ' A' ' 18' ' ' TRP . 9.4 tp -106.83 111.87 24.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 mtm180 -87.95 134.79 33.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 57' ' ' ILE . 82.9 mt -140.91 118.94 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.8 tt0 -85.96 117.14 24.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -103.13 147.17 27.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -102.4 100.88 11.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.54 105.83 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.32 157.57 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.7 m -113.71 161.82 17.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 85' ' ' LEU . 15.5 t -121.28 154.62 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.21 88.26 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.532 HG11 ' CE3' ' A' ' 18' ' ' TRP . 29.8 t -74.98 140.71 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . -107.95 93.48 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.11 -163.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.38 2.77 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.002 -0.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -85.64 165.94 32.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.844 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 178.6 33.98 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.021 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CE3' HG11 ' A' ' 12' ' ' VAL . 40.2 m95 -87.19 -61.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 112.92 36.95 1.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.452 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 11.0 p90 -144.62 151.04 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -115.89 167.83 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.0 pt -136.19 174.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.587 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.75 -179.42 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.53 -133.27 49.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.99 177.03 20.53 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -59.87 -54.84 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -80.1 5.11 15.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.8 m170 60.74 30.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 p -128.25 160.23 63.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 144.01 29.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.745 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.7 104.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -113.72 148.46 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 48' ' ' LEU . 87.2 t -82.75 131.07 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.3 p -91.6 -50.94 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.07 161.84 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 48' ' ' LEU . 79.2 t -143.56 102.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 43.6 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -45.52 46.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.53 -37.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.65 -96.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.03 32.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 34' ' ' VAL . 43.6 tp -85.39 128.4 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.41 158.75 68.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.39 8.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 -26.56 9.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.3 121.43 8.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 33' ' ' ILE . 84.2 mt -80.21 109.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.12 111.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.96 -48.18 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.32 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.974 HD12 ' SD ' ' A' ' 65' ' ' MET . 51.4 mt -129.04 101.6 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 m-20 70.75 7.73 6.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.93 -13.1 10.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -89.79 118.3 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -39.98 140.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.03 0.07 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -41.22 76.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -114.43 48.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.974 ' SD ' HD12 ' A' ' 57' ' ' ILE . 10.5 mtt -108.89 125.91 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -69.77 155.58 40.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.84 -21.16 27.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.648 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.94 -24.34 17.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.6 mm-40 -70.61 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -58.65 -26.99 64.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -73.99 -43.96 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 t -67.03 -55.36 14.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.41 -57.24 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -51.67 -52.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -61.95 -19.17 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -117.05 32.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.65 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -108.07 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.22 171.15 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 5.5 t -106.9 139.09 20.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.99 161.2 95.34 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.989 0.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.65 HD13 ' CB ' ' A' ' 77' ' ' SER . 0.8 OUTLIER -106.78 110.19 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.33 139.38 38.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 98.9 mt -142.14 116.5 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.5 tt0 -87.16 109.8 19.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 10' ' ' VAL . 17.6 mt -95.61 146.98 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.632 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.28 101.23 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.97 105.6 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.52 156.95 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 65.7 m -110.72 161.91 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.817 HG21 HD11 ' A' ' 85' ' ' LEU . 10.2 t -122.72 155.74 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.33 88.46 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 12.7 t -77.7 132.72 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . -104.52 95.42 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.76 -161.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.4 2.47 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.035 -0.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.97 165.89 20.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.837 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.05 167.18 81.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.968 -2.514 . . . . 0.0 110.981 0.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 27.4 m95 -76.94 -65.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.93 36.36 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.7 p90 -144.33 150.86 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -114.49 170.29 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -139.63 167.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.3 -178.4 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' CA ' ' OG1' ' A' ' 30' ' ' THR . . . 55.79 -134.38 49.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.93 162.14 20.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -49.35 -34.15 15.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.83 -50.84 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -85.6 9.25 16.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 56.67 32.92 21.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' CA ' ' A' ' 24' ' ' GLY . 3.2 p -131.78 159.49 71.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.98 142.91 28.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mm -66.67 104.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -115.11 146.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 48' ' ' LEU . 92.5 t -81.69 135.1 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.3 p -101.13 -48.74 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -122.36 152.81 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -141.74 97.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.535 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -41.83 -50.83 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.53 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.23 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.81 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.724 HD11 HG21 ' A' ' 34' ' ' VAL . 59.5 tp -90.74 140.91 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.38 156.85 74.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 121.64 6.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.89 -19.1 11.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -61.78 125.17 22.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -81.33 110.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.1 108.89 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.5 t -76.53 -48.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.53 10.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.954 HD12 ' SD ' ' A' ' 65' ' ' MET . 45.6 mt -131.55 101.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.3 7.88 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.52 -11.37 12.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -92.35 120.29 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.6 m -39.22 141.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.5 4.16 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.53 -34.2 70.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -122.87 58.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.954 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.8 mtt -116.36 123.54 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.72 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -68.92 150.23 47.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -51.01 -22.74 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.45 -29.0 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.72 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.8 mm-40 -69.69 -55.69 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -62.13 -29.09 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -73.54 -44.61 57.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLN . 20.3 t -64.62 -55.28 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -58.95 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -49.15 -51.32 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -28.19 69.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.4 mt-30 -107.04 31.93 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -107.87 126.29 52.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.39 -178.11 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 74.2 p -117.06 140.65 27.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.0 Cg_endo -75.05 161.37 94.95 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.958 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.3 tp -104.1 110.38 22.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -80.7 135.68 36.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 79.8 mt -137.73 116.55 12.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 17.7 tt0 -86.77 109.92 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 10' ' ' VAL . 12.9 mt -97.25 145.59 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.66 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.38 100.76 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -114.54 105.81 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -104.58 157.21 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 94.7 m -116.11 158.35 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 83' ' ' LEU . 3.3 p -131.53 148.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.49 93.08 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.583 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 46.7 t -72.99 136.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.18 109.7 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -70.08 -166.21 5.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.99 -164.03 3.42 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.826 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -87.64 166.2 26.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.826 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.96 177.51 38.72 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.041 -0.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 81' ' ' LEU . 15.5 m95 -87.01 -59.42 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 107.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.28 39.95 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.1 p90 -144.42 152.46 40.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -115.11 -179.18 3.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 8.2 pt -148.23 172.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -142.06 177.91 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.37 -134.83 52.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.1 161.11 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -51.05 -34.6 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.13 -45.62 93.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -86.64 3.41 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 57.15 39.68 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -136.33 161.27 63.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 138.67 23.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 22' ' ' ILE . 2.5 mt -69.65 107.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.6 mt -115.22 144.88 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HD11 ' A' ' 48' ' ' LEU . 93.4 t -75.29 133.13 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -97.51 -48.97 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 154.42 45.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG2' HG11 ' A' ' 34' ' ' VAL . 58.6 t -138.59 107.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.345 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -42.26 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.1 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -67.54 -88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 178.45 38.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.65 HD11 HG21 ' A' ' 34' ' ' VAL . 57.7 tp -96.14 139.23 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -138.99 158.73 69.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.16 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 114.65 -23.64 11.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 68.3 m-20 -58.44 127.93 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 31' ' ' PRO . 61.1 mt -84.28 115.71 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.75 115.34 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -87.78 -46.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.44 174.31 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.86 HD12 ' SD ' ' A' ' 65' ' ' MET . 60.7 mt -133.97 101.74 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t30 73.2 12.63 4.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.71 -10.48 27.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -93.75 120.71 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -39.38 139.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.983 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.19 7.66 11.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.35 -36.63 84.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -112.15 41.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.86 ' SD ' HD12 ' A' ' 57' ' ' ILE . 26.4 mtt -109.46 112.54 24.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -60.92 157.02 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 19.9 t60 -57.27 -21.35 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.32 -23.46 18.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.635 ' HG3' HD12 ' A' ' 66' ' ' LEU . 28.6 mt-10 -72.65 -64.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -57.35 -43.64 83.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 4.6 mm-40 -46.28 -52.76 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LYS . 14.4 t -73.4 -54.3 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.3 mmtt -38.45 -62.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 4.3 mt -42.57 -58.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' LYS . 4.2 mt-30 -85.72 -4.24 59.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.797 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.11 126.16 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 160.72 31.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.4 p -90.96 135.66 28.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.04 161.94 93.82 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.993 0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -101.86 105.8 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.627 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 ttm180 -80.91 135.6 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 81' ' ' LEU . 61.2 mt -137.03 120.68 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.6 tt0 -86.18 115.57 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mt -103.31 146.06 29.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.567 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.85 101.42 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -107.92 104.96 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.021 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.19 157.72 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 82' ' ' ARG . 5.7 m -114.46 158.0 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.24 133.22 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.59 110.34 22.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -97.68 115.51 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 120.61 13.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -88.59 -165.04 40.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.97 -162.55 2.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.96 -0.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -80.67 167.26 33.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.885 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -74.98 179.03 32.08 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.034 -0.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.88 ' CE2' HD22 ' A' ' 81' ' ' LEU . 33.5 m95 -91.64 -56.74 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.59 34.47 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.9 p90 -144.6 150.65 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 22' ' ' ILE . 63.8 mtt180 -107.7 -177.78 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' HG2' ' A' ' 71' ' ' GLN . 10.6 pt -153.04 169.42 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -145.49 -178.51 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.6 -138.24 46.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.45 178.46 17.56 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -68.41 -17.87 64.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.85 -45.75 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.25 10.93 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.1 m80 59.51 24.21 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -122.34 158.45 55.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.567 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.97 149.03 36.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -70.3 100.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.567 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.8 mt -109.62 150.2 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -84.52 138.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' SER . 21.5 p -102.19 -51.38 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 153.84 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 48' ' ' LEU . 78.0 t -137.39 110.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 24.3 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -40.0 -53.7 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.35 -48.42 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.97 35.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.5 tp -101.0 129.35 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -131.27 163.16 51.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.91 11.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -36.92 3.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -45.83 129.26 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.5 mt -88.06 111.82 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.18 107.28 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -78.2 -57.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.43 170.62 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.843 HD12 ' SD ' ' A' ' 65' ' ' MET . 65.2 mt -131.81 103.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 m-20 69.36 20.43 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.66 -7.35 53.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.67 117.94 31.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -39.86 146.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 55' ' ' VAL . . . -134.43 13.23 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -31.02 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -121.42 50.4 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.843 ' SD ' HD12 ' A' ' 57' ' ' ILE . 15.7 mtt -108.8 117.61 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.767 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -63.41 159.32 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 18.9 t60 -58.71 -23.09 59.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.77 -23.25 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.767 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -72.02 -60.86 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.99 83.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.672 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.0 mm100 -60.97 -43.22 99.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -72.33 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.3 mttp -57.37 -56.68 18.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' A' ' 18' ' ' TRP . 6.3 mt -50.37 -45.33 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.34 -46.69 75.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -95.13 33.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.754 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -95.6 127.38 41.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 143.74 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 1.2 p -88.83 149.34 43.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -75.02 162.05 93.61 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.005 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.88 HD22 ' CE2' ' A' ' 18' ' ' TRP . 18.9 tp -94.59 123.04 37.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.603 ' C ' HD13 ' A' ' 83' ' ' LEU . 4.6 ttm180 -117.46 96.89 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.06 124.45 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.2 tt0 -85.65 105.44 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 8' ' ' LEU . 4.5 mt -88.63 146.73 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.717 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -102.38 100.57 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -118.44 106.36 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.64 157.0 24.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 81.8 m -110.43 161.31 15.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LEU . 4.6 p -136.42 150.87 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 98.5 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.3 t -96.62 106.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -95.39 105.27 17.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -84.93 -105.48 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.04 176.82 41.81 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.951 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.44 157.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 169.44 74.53 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.967 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.753 ' CE2' HD22 ' A' ' 81' ' ' LEU . 62.5 m95 -94.82 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.54 0.82 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 12.3 p90 -144.47 146.95 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -106.08 177.53 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 32' ' ' ILE . 9.4 pt -147.58 175.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.52 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.61 -179.54 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.6 47.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.94 157.53 14.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.37 -39.37 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.07 -55.04 31.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 80.5 m-85 -83.64 13.08 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 53.09 34.07 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.0 p -133.33 159.73 71.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 144.27 29.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG23 HD12 ' A' ' 22' ' ' ILE . 2.8 mm -66.43 105.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.8 mt -112.43 145.98 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.4 t -82.8 125.53 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.8 p -81.97 -56.29 4.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -150.04 145.63 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.512 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -125.54 123.2 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.75 -38.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.95 -53.81 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -170.39 33.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 27.1 tp -93.37 143.72 26.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.88 158.54 33.92 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.3 Cg_endo -75.0 129.61 12.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.41 -7.58 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 37.2 m-20 -81.61 131.03 35.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 60.4 mt -87.11 111.03 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.93 109.17 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.66 -48.32 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.92 169.14 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.99 HD12 ' SD ' ' A' ' 65' ' ' MET . 78.8 mt -131.37 101.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 72.14 12.06 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.27 -11.14 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -94.07 117.39 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.91 144.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.18 9.6 11.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -37.02 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -120.94 56.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.99 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.4 mtt -115.49 121.53 42.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.789 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -67.59 150.86 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 11.1 t60 -51.72 -22.1 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.34 -28.5 16.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.789 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.9 mm-40 -69.18 -56.17 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.76 77.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 14.6 mm-40 -66.32 -43.01 87.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -55.8 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.15 -57.36 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.29 -43.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -43.63 95.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -89.5 19.99 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.766 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -93.91 122.86 36.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.51 168.06 15.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 76.4 p -96.79 140.56 22.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.0 161.73 94.27 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.015 -0.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 ' OG ' ' A' ' 77' ' ' SER . 9.7 tp -111.05 106.26 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -81.22 125.63 30.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.668 ' O ' HG12 ' A' ' 10' ' ' VAL . 41.0 mt -131.63 117.45 18.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 55' ' ' VAL . 10.2 tt0 -86.36 115.27 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.62 144.29 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.608 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.2 t0 -99.34 101.14 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -108.41 103.55 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.59 157.31 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 26.1 m -119.8 159.57 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.998 HG11 HD23 ' A' ' 48' ' ' LEU . 2.4 p -129.65 153.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.01 96.72 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 18' ' ' TRP . 25.8 t -81.31 123.88 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.37 116.59 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -73.69 -167.51 14.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.02 -163.14 3.02 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.994 -0.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -83.55 166.41 34.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 177.82 37.37 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.988 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m95 -86.81 -51.71 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.06 33.5 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.6 p90 -144.61 149.42 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.2 mtm180 -112.44 -177.3 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.1 pt -148.02 165.71 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -138.55 -177.35 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.46 -134.26 38.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 110.18 159.11 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HD3' ' CA ' ' A' ' 64' ' ' ASN . 1.9 tpt180 -44.33 -39.74 4.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.29 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 30' ' ' THR . 38.0 m-85 -89.65 8.6 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m80 56.09 37.63 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 28' ' ' PHE . 9.9 p -139.46 161.96 54.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.42 27.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 54' ' ' ILE . 3.2 mm -66.45 111.79 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' HG12 ' A' ' 53' ' ' ILE . 9.7 mt -120.45 145.72 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HD11 ' A' ' 48' ' ' LEU . 54.5 t -79.75 140.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.0 OUTLIER -113.73 -45.03 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.21 140.84 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CA ' ' A' ' 49' ' ' ARG . 55.9 t -142.61 105.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.452 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -42.96 -54.54 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.72 -42.69 35.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -63.05 -57.24 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER 157.74 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.998 HD23 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -40.75 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.747 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -168.48 156.81 7.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.75 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . 107.34 -20.42 32.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.36 128.35 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 31' ' ' PRO . 88.8 mt -81.12 110.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.733 HD12 HG22 ' A' ' 32' ' ' ILE . 52.7 mt -69.42 104.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.6 t -71.38 -50.55 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.24 173.15 11.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' SD ' ' A' ' 65' ' ' MET . 87.9 mt -131.53 101.22 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 74.02 6.56 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 -12.95 10.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.438 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.8 tp60 -90.12 123.2 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -41.97 147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.33 -1.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -40.71 71.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' CA ' ' HD3' ' A' ' 26' ' ' ARG . 5.2 p30 -117.89 60.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.92 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.3 mtt -120.48 124.85 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -71.54 152.54 42.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -53.72 -21.33 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 -27.76 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.807 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.2 mm-40 -68.74 -56.94 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -56.62 -44.36 81.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.4 t -70.46 -58.57 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -58.31 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 18' ' ' TRP . 14.5 mt -52.35 -34.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' SER . 12.2 ttt180 -72.67 -43.57 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -93.01 23.16 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.526 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -89.67 134.28 34.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.75 175.4 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 79.3 p -113.59 141.35 25.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 162.16 93.4 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.001 0.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 77' ' ' SER . 4.2 tp -96.11 117.98 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 4.1 ttm180 -94.24 117.19 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.2 mt -119.45 118.34 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.4 tt0 -85.81 116.8 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 48' ' ' LEU . 12.9 mt -105.18 138.55 41.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.582 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -100.37 100.64 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.94 105.83 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.65 157.21 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 97.9 m -115.15 161.12 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 83' ' ' LEU . 11.9 p -130.13 158.33 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.21 98.24 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -86.83 156.3 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.76 106.58 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -66.53 -165.25 1.97 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.1 Cg_endo -75.04 -163.5 3.18 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.836 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.88 165.46 31.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.836 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.99 168.54 77.12 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.574 ' CH2' ' CB ' ' A' ' 81' ' ' LEU . 46.9 m95 -79.5 -54.09 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.86 -0.95 10.01 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 22.5 p90 -115.54 146.77 41.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -109.49 -177.18 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.6 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.2 pt -150.08 176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -152.02 179.42 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.99 -139.71 47.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.54 162.7 15.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.438 HH21 ' CE1' ' A' ' 29' ' ' HIS . 1.5 tpt180 -46.6 -39.52 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 8.4 p-10 -55.95 -52.49 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -83.08 9.65 9.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.438 ' CE1' HH21 ' A' ' 26' ' ' ARG . 13.8 m170 55.85 25.95 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.8 p -126.25 158.89 65.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 149.62 36.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -70.15 108.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -117.75 144.78 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.3 t -80.33 126.52 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 23' ' ' SER . 7.7 p -83.45 -55.65 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -153.29 150.46 28.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.18 132.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -37.96 -48.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.32 -55.18 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 10' ' ' VAL . . . -55.01 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.49 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 85' ' ' LEU . 33.8 tp -103.75 150.31 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -155.87 156.97 31.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -7.88 13.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' CB ' HD13 ' A' ' 85' ' ' LEU . 8.7 m-20 -81.46 138.63 35.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 33' ' ' ILE . 78.9 mt -93.01 118.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 32' ' ' ILE . 32.0 mt -75.51 118.35 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -89.5 -45.96 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.38 171.15 14.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 73.1 mt -132.86 101.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.04 9.63 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.4 -10.34 22.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 120.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.4 m -40.0 138.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.36 19.12 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -51.32 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -108.75 50.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 5.9 mtt -99.65 122.45 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.758 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -65.61 153.15 42.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 21.3 t60 -54.39 -21.9 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.18 -25.87 17.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.758 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.0 mm-40 -69.95 -59.05 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.98 -32.23 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.6 ' HG2' HD11 ' A' ' 22' ' ' ILE . 10.1 mm-40 -69.76 -45.65 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -59.3 -53.69 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mt -53.91 -50.42 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -49.57 76.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.72 -7.55 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.667 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -71.22 121.65 18.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.36 173.73 8.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 30.6 t -101.36 139.56 20.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.97 161.24 95.24 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.008 -0.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -106.64 114.48 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.631 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 mtt180 -93.24 144.29 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.2 mt -142.55 117.74 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' VAL . 7.7 tt0 -85.4 114.71 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 48' ' ' LEU . 9.8 mt -102.81 152.35 21.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -105.3 101.05 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.578 HD21 HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -103.64 157.54 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 62.6 m -115.17 160.97 19.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 85' ' ' LEU . 22.0 t -126.49 155.45 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.95 94.45 3.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.1 t -86.18 147.01 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.32 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.32 -167.38 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.71 3.72 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.027 -0.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.41 164.52 26.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -75.0 177.97 36.72 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.026 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.707 ' CE2' HD22 ' A' ' 81' ' ' LEU . 32.1 m95 -86.12 -50.7 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.36 32.13 2.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -144.42 150.55 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 0.722 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -113.5 -177.24 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 22.6 pt -144.64 169.86 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.617 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.68 -178.19 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.77 -133.5 26.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.72 155.33 10.67 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -46.08 -33.3 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.37 -48.52 78.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -88.58 12.12 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 m80 58.19 34.06 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.02 159.52 72.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.96 149.55 37.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -74.37 110.14 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' C ' ' A' ' 51' ' ' GLY . 4.2 mt -118.42 143.2 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.936 HG21 HD11 ' A' ' 48' ' ' LEU . 60.8 t -75.2 138.02 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.4 p -104.87 -47.86 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 147.19 46.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.608 HG21 ' CA ' ' A' ' 49' ' ' ARG . 88.0 t -143.73 110.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 110.362 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.15 -47.94 6.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.23 -44.12 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -86.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.16 37.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.936 HD11 HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -94.71 164.01 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.827 ' H ' HD13 ' A' ' 48' ' ' LEU . 6.6 mtt180 -173.92 155.55 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.31 13.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 109.03 -18.81 30.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.7 125.37 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.796 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.8 mt -79.64 110.86 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.571 HD12 HG22 ' A' ' 32' ' ' ILE . 48.1 mt -72.42 105.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.723 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -75.5 -47.97 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.56 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.72 HD12 ' SD ' ' A' ' 65' ' ' MET . 47.8 mt -128.58 101.13 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t30 72.81 5.81 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.0 -13.14 10.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.9 tp60 -91.3 119.93 31.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -40.74 140.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.56 10.66 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.23 99.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -115.35 53.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.72 ' SD ' HD12 ' A' ' 57' ' ' ILE . 12.4 mtt -109.1 125.88 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -72.51 150.5 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -53.27 -20.88 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.86 17.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.2 mm-40 -70.19 -58.97 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.75 93.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -46.71 -49.02 20.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' LYS . 42.2 t -75.96 -53.98 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' SER . 9.5 mmtm -39.97 -65.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 18' ' ' TRP . 9.1 mt -39.72 -55.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -50.64 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.32 -8.99 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -72.96 131.58 42.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.24 -179.46 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 38.1 t -108.57 139.08 20.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 161.47 94.78 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.004 -0.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 ' CE2' ' A' ' 18' ' ' TRP . 5.3 tp -102.77 101.92 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 1.4 ttm180 -75.46 133.91 40.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -131.74 116.37 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.1 tt0 -90.16 102.94 15.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 10' ' ' VAL . 5.7 mt -92.89 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.723 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.83 100.67 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.94 102.66 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -78.51 170.94 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -166.7 152.44 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.89 -85.8 1.9 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.082 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 77.0 -62.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 58.78 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.96 125.47 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.65 156.76 27.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 47.6 m -109.33 161.62 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 83' ' ' LEU . 12.4 p -136.05 155.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.81 91.71 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.28 155.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' ' HD2' ' A' ' 42' ' ' LYS . . . -93.02 166.46 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.55 -174.16 20.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.84 5.99 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.041 0.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -63.27 164.21 15.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.786 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.39 39.23 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.987 -2.506 . . . . 0.0 110.993 -0.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.536 ' HE1' HG22 ' A' ' 74' ' ' ILE . 53.9 m95 -91.06 -51.65 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 28.11 4.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 10.0 p90 -144.61 153.44 41.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -113.64 172.78 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.4 pt -143.7 172.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -150.9 176.34 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.86 -142.0 44.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 110.51 162.99 18.66 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 3.1 tpm_? -45.71 -33.37 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.62 -50.92 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.55 6.31 41.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.47 30.05 19.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.23 160.94 57.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.02 143.74 29.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.5 99.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.5 mt -109.3 146.75 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.0 134.87 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' HB2' ' A' ' 23' ' ' SER . 6.7 p -96.26 -51.7 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 161.4 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.5 97.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -48.68 121.6 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.44 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.49 161.74 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 41.01 31.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.8 -151.41 24.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.743 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 7.0 mmtm -88.54 -58.91 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -43.31 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -43.23 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -48.41 -51.96 24.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 173.86 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.763 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.2 tp -98.59 130.55 45.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.03 161.21 63.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.26 9.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.75 -30.12 6.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 11.5 m-20 -49.62 127.32 15.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.766 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 33' ' ' ILE . 87.4 mt -87.31 112.39 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.01 110.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.89 -48.14 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.49 177.56 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.946 HD12 ' SD ' ' A' ' 65' ' ' MET . 50.6 mt -132.96 101.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 71.82 6.5 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.67 5.56 13.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 57' ' ' ILE . 1.7 tt0 -109.84 117.57 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -38.77 140.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.25 10.15 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.92 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -116.94 63.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HD12 ' A' ' 57' ' ' ILE . 27.4 mtt -123.06 123.03 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.679 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.9 mt -68.58 150.94 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -52.58 -23.08 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.41 -27.13 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.679 ' HG3' HD12 ' A' ' 66' ' ' LEU . 6.3 mm-40 -69.46 -58.71 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.517 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.07 -39.4 74.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.09 -62.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -55.21 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.536 HG22 ' HE1' ' A' ' 18' ' ' TRP . 42.6 mt -55.14 -62.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -43.45 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.68 36.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.594 ' CB ' HD13 ' A' ' 81' ' ' LEU . 3.3 t -115.24 117.65 31.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.17 168.38 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 3.7 p -101.23 141.63 23.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 161.58 94.56 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.02 -2.491 . . . . 0.0 111.026 -0.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.1 tp -105.7 108.06 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 mtm180 -77.24 133.02 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 57' ' ' ILE . 70.4 mt -140.64 119.18 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 tt0 -86.15 114.94 23.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.71 141.75 34.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.589 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -97.43 101.4 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -109.03 104.65 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -130.75 79.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.1 m -111.96 153.75 26.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -123.7 156.86 18.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.08 30.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.51 155.23 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.55 144.69 18.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -122.08 118.77 29.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -135.83 134.64 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.57 157.79 21.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 p -53.43 160.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -72.35 150.27 43.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.35 122.35 0.63 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.3 156.46 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 84.8 m -107.15 161.69 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.2 p -137.25 149.56 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.21 88.99 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.64 150.23 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . . . -90.96 164.61 13.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -148.34 -168.8 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 -166.15 4.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.005 -0.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -66.53 164.39 32.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.814 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.94 173.92 55.31 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.054 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -87.44 -63.49 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 113.01 36.26 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' ' 74' ' ' ILE . 9.6 p90 -144.94 151.8 39.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 0.803 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 34' ' ' VAL . 43.7 mtt-85 -114.74 171.58 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.6 pt -142.81 169.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -146.12 178.6 8.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.29 -140.37 48.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.51 159.51 15.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -43.16 -38.6 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -54.57 -54.22 44.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -84.72 6.53 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 m80 58.76 31.49 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -129.04 159.82 66.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 143.77 29.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.74 106.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -116.45 145.14 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ARG . 90.4 t -80.58 135.55 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 43.7 p -99.36 -48.42 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 158.15 33.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.9 t -142.57 102.66 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 53.2 m -48.53 137.68 11.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -85.96 141.32 29.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 59.75 29.12 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.624 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -106.28 -171.38 23.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' CG ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -70.55 -46.62 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -55.64 -56.79 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -46.98 -49.42 20.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 17.8 t0 -172.63 34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.481 HD23 ' HB1' ' A' ' 43' ' ' ALA . 28.5 tp -90.76 125.44 35.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.64 158.74 63.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.43 -17.11 12.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.41 124.01 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 ' CG1' ' A' ' 33' ' ' ILE . 86.7 mt -81.59 112.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.93 110.78 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.32 -47.76 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.67 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.809 HD12 ' SD ' ' A' ' 65' ' ' MET . 72.4 mt -131.39 102.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t-20 71.91 8.09 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.91 1.88 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -105.1 117.55 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.2 m -38.74 142.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.78 2.83 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -34.93 66.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -121.82 62.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.809 ' SD ' HD12 ' A' ' 57' ' ' ILE . 25.5 mtt -121.53 130.17 53.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt -71.99 149.98 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.25 -21.31 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -24.11 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.8 mm-40 -71.69 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.571 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -53.19 -35.63 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -63.94 -46.47 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.8 t -67.46 -62.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.08 -57.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.664 HG21 ' HZ ' ' A' ' 20' ' ' PHE . 66.4 mt -49.76 -65.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -57.98 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.502 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -53.5 141.78 24.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.88 -170.77 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 2.1 p -112.87 137.22 21.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 161.34 95.02 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.957 -2.518 . . . . 0.0 110.967 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 83' ' ' LEU . 2.3 tp -105.01 106.93 17.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.0 mtm105 -78.77 128.36 33.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 57' ' ' ILE . 83.2 mt -138.74 121.05 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.6 tt0 -86.05 116.7 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.62 143.33 32.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.597 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.19 100.96 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -108.44 102.52 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -128.62 87.02 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.6 m -135.86 152.72 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.22 158.14 27.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -118.51 155.75 30.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 m -39.45 128.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -121.17 -58.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.011 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.48 158.28 21.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -175.32 13.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.44 134.21 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -173.88 161.06 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.65 128.79 5.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.05 157.08 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 56.2 m -113.74 156.54 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 82' ' ' ARG . 11.2 p -129.68 155.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.65 102.32 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.52 110.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.5 109.11 6.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -60.15 -162.64 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.96 -162.06 2.67 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.98 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -96.22 166.04 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.82 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.02 175.83 46.15 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.935 -2.527 . . . . 0.0 111.03 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 20.2 m95 -83.78 -55.22 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.41 35.75 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 6.9 p90 -144.72 146.48 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.09 -177.37 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.766 HD11 ' HG2' ' A' ' 71' ' ' GLN . 20.8 pt -147.7 167.39 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.515 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.55 178.87 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.99 -132.96 45.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.55 -178.78 18.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 64' ' ' ASN . 4.0 tpt180 -67.04 -36.17 81.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -40.45 96.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -88.47 4.48 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 m80 58.17 33.23 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p -134.85 161.61 62.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.12 27.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 54' ' ' ILE . 2.8 mm -66.24 108.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.7 mt -118.72 145.07 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.7 t -78.95 140.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 23' ' ' SER . 23.1 p -106.02 -50.29 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.46 155.47 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.589 HG11 ' O ' ' A' ' 48' ' ' LEU . 73.7 t -143.61 99.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -47.78 133.34 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 41' ' ' GLY . 3.5 tt0 -82.0 154.79 25.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 42.53 28.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 39' ' ' GLU . . . -99.78 -147.11 21.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 16.1 mmtm -86.49 -55.8 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -51.63 -70.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -44.34 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -42.32 -48.64 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -73.12 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.72 35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' HG11 ' A' ' 37' ' ' VAL . 26.4 tp -86.88 126.66 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 156.85 74.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.495 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 121.28 -25.48 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -55.9 128.83 37.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 31' ' ' PRO . 69.1 mt -84.67 114.77 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 32' ' ' ILE . 22.0 mt -75.06 115.02 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.2 t -85.84 -45.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.6 175.08 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.938 HD12 ' SD ' ' A' ' 65' ' ' MET . 67.2 mt -135.02 101.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 2.1 t-20 79.08 0.09 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.07 -9.6 8.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -96.08 128.89 43.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 150.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -130.99 12.28 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -39.4 85.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 3.9 m-20 -114.68 46.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.938 ' SD ' HD12 ' A' ' 57' ' ' ILE . 9.0 mtt -105.21 122.75 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -66.67 152.03 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -53.46 -22.21 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.1 -25.93 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.1 mm-40 -69.16 -56.83 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -62.6 -31.66 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 22' ' ' ILE . 11.2 mm-40 -72.43 -38.65 68.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 t -78.39 -42.75 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -59.64 -56.16 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.472 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 16.1 mt -50.16 -53.33 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -52.92 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.87 -12.48 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.877 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -64.3 119.87 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 170.53 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 88.2 p -97.2 138.99 21.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.24 95.23 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.016 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.877 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -105.99 113.44 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.646 ' N ' HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.19 141.01 28.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 81' ' ' LEU . 90.1 mt -141.07 119.26 12.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.8 tt0 -85.76 109.05 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 52' ' ' ASP . 8.4 mt -96.74 148.39 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.643 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -103.14 101.2 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -112.8 102.35 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 t -131.15 85.36 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.84 124.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -154.4 175.55 32.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.83 37.3 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.66 165.45 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 p -67.67 161.71 25.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -85.46 125.48 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -64.34 94.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.03 63.57 3.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.6 -58.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -136.62 105.4 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.56 124.52 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -113.89 156.57 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.505 HG21 ' NE ' ' A' ' 82' ' ' ARG . 93.4 m -108.83 159.52 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 83' ' ' LEU . 5.7 p -130.09 148.36 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.42 88.6 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 73.0 t -66.55 147.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -112.7 96.59 6.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -57.09 -160.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 -161.81 2.59 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.022 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -88.92 164.3 31.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.93 175.72 46.54 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.023 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 31.9 m95 -83.78 -52.15 6.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.37 29.96 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.9 p90 -137.75 148.49 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -113.14 174.89 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -143.07 170.92 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -144.16 -178.7 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.79 -139.13 46.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.26 159.85 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -47.45 -31.63 4.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -92.87 8.33 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.15 29.03 18.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -127.54 160.08 62.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.01 144.76 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -68.62 101.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.9 mt -110.78 146.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.18 137.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 76.7 p -99.92 -52.45 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 159.19 30.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.81 97.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 m -47.77 136.34 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -83.62 136.87 34.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 61.86 44.05 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.747 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -116.92 -161.88 12.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 2.0 mptp? -78.75 -38.15 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -65.27 -71.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -42.76 -48.34 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -70.82 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.4 34.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.537 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -89.85 132.49 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -134.84 159.41 72.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.37 -25.14 9.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD2' HD13 ' A' ' 85' ' ' LEU . 1.8 m-20 -55.25 126.49 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.796 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 93.0 mt -84.05 110.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.17 110.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.26 -47.75 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.13 172.83 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.902 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -131.82 101.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER 71.59 8.36 6.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 -11.29 12.79 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.473 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -92.75 120.11 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -39.94 145.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 57' ' ' ILE . . . -122.03 6.27 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -42.85 96.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -114.75 55.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.902 ' SD ' HD12 ' A' ' 57' ' ' ILE . 14.9 mtt -114.43 123.55 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -69.48 153.23 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.02 -22.97 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.22 -26.94 18.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.788 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 mm-40 -69.94 -58.09 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -59.58 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -68.49 -47.69 66.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.9 t -63.36 -57.42 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -46.93 -58.67 3.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 70' ' ' ALA . 7.0 mt -47.73 -56.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -52.61 -54.88 27.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.73 -7.93 31.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -75.8 134.55 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.96 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.79 -171.55 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 23.0 t -111.46 139.72 22.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 160.96 95.78 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.016 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD13 ' OG ' ' A' ' 77' ' ' SER . 5.7 tp -109.17 107.79 18.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.505 ' NE ' HG21 ' A' ' 9' ' ' THR . 3.0 ttp180 -80.65 130.71 35.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.733 ' O ' HG12 ' A' ' 10' ' ' VAL . 88.3 mt -139.68 118.84 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.8 tt0 -86.16 116.37 24.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.452 HD13 ' OD2' ' A' ' 52' ' ' ASP . 13.5 mt -103.28 143.57 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.11 101.14 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -108.88 104.21 13.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 t -118.21 81.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.5 m -78.56 170.97 15.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.03 159.02 29.04 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.06 42.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -161.67 136.87 7.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -141.17 126.51 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.28 129.82 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -162.37 93.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 75.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -94.48 166.37 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.02 169.93 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.03 123.78 4.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.28 157.02 25.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 83.4 m -110.18 156.96 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 83' ' ' LEU . 2.6 p -124.41 146.44 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.25 89.54 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 61.1 t -66.72 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -110.83 94.33 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -59.35 -159.88 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -162.07 2.67 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.52 164.46 29.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.0 168.0 78.75 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.2 m95 -77.31 -61.09 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 114.95 30.07 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -135.26 149.03 49.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -110.93 175.74 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 pt -144.85 170.01 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -143.75 179.36 7.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.06 -146.54 35.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 118.64 162.77 12.27 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.2 tpm_? -46.02 -36.54 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.95 89.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' GLY . 98.0 m-85 -94.81 0.19 54.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 63.92 19.4 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -117.28 161.08 34.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 141.98 27.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.22 108.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -117.97 146.01 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 89.1 t -79.41 135.9 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 20.0 p -99.96 -50.5 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.82 33.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -143.11 101.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 14.1 m -47.48 138.52 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 34.3 tt0 -81.59 138.01 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 52.79 53.7 11.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.725 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -122.88 -163.69 11.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 9.3 mptt -73.9 -40.24 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -64.79 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 39' ' ' GLU . 6.8 tt0 -47.37 -46.51 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -42.06 -44.55 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -74.75 -94.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -170.48 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -88.4 129.77 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -131.81 158.71 74.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.3 Cg_endo -74.97 121.74 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 118.07 -21.28 10.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 121.07 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.478 HG12 ' CG1' ' A' ' 33' ' ' ILE . 67.4 mt -78.43 110.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.29 109.83 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -76.84 -48.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.77 175.73 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.962 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -135.62 101.76 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 1.7 t30 76.64 7.17 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.65 22.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.24 125.9 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -39.41 144.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -123.33 4.11 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -40.11 86.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -114.34 61.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.962 ' SD ' HD12 ' A' ' 57' ' ' ILE . 23.9 mtt -121.56 122.15 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.677 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.1 mt -69.24 151.47 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -52.41 -23.11 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.64 -25.91 18.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.677 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.1 mm-40 -72.01 -61.15 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.28 -32.43 66.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -67.75 -45.21 75.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.8 t -67.72 -56.67 8.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -44.29 -57.86 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 70' ' ' ALA . 5.7 mt -49.25 -55.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -43.0 75.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.95 -6.89 53.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -80.83 137.03 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.09 -166.06 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 94.2 p -116.43 139.33 25.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.65 94.42 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.026 -0.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 83' ' ' LEU . 3.2 tp -107.06 115.68 30.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.4 ttm180 -89.04 126.65 35.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 57' ' ' ILE . 73.5 mt -136.46 120.96 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.5 tt0 -87.31 114.22 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -99.96 141.24 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -96.68 101.08 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.14 105.62 15.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 t -122.63 89.1 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 132.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -139.04 152.66 22.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.62 15.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -118.27 72.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 t -164.36 130.52 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -177.34 113.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -104.68 93.97 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.33 -123.53 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.41 112.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 0.79 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.75 151.63 23.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.73 129.0 3.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -114.51 157.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 41.6 m -117.69 160.2 21.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 85' ' ' LEU . 13.1 t -115.71 153.43 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -131.73 89.71 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.38 155.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.7 101.08 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.62 -171.62 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.91 5.22 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.958 0.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.33 164.97 35.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.825 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.0 179.33 31.02 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.016 0.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 34.8 m95 -88.32 -53.26 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 107.986 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.96 32.3 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.5 p90 -144.82 149.24 35.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -109.9 -177.28 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.667 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.3 pt -149.91 172.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 8.1 t -144.11 -178.01 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.31 -134.01 45.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.93 -177.78 17.98 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -67.1 -36.75 82.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -60.54 -39.47 88.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 30' ' ' THR . 77.4 m-85 -95.34 11.91 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 51.34 21.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.569 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.8 p -117.29 158.57 44.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 142.92 28.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 54' ' ' ILE . 1.8 mm -66.24 105.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.19 145.56 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.93 135.88 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 38.4 p -98.19 -51.09 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 159.78 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' O ' ' A' ' 48' ' ' LEU . 94.6 t -142.73 112.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.4 m -53.04 121.59 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 7.9 tt0 -66.1 146.27 54.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' GLU . 8.0 mmt180 38.1 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -92.98 -148.95 24.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -89.68 -27.76 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -72.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -43.14 -29.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -60.19 -55.1 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -60.19 -72.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER 163.36 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.623 ' O ' HG11 ' A' ' 37' ' ' VAL . 22.7 tp -105.66 129.21 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -127.34 156.01 75.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.62 6.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 122.84 -30.21 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.01 140.97 19.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.7 mt -97.13 117.69 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 32' ' ' ILE . 23.4 mt -74.29 111.21 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -79.63 -46.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 60' ' ' GLN . . . -141.79 178.41 7.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.855 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.4 mt -135.52 103.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.826 ' ND2' HG22 ' A' ' 57' ' ' ILE . 2.2 m-20 78.6 3.36 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.04 -3.91 16.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 7.1 tt0 -100.3 130.94 46.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -39.53 147.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -132.55 11.29 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.62 88.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -108.4 59.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.855 ' SD ' HD12 ' A' ' 57' ' ' ILE . 21.9 mtt -117.89 113.05 21.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -58.16 150.01 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.3 t60 -51.23 -22.69 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.2 -28.33 17.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.796 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.8 mm-40 -69.38 -57.28 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -62.72 -29.11 70.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.7 mm-40 -74.41 -39.61 62.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 40.2 t -74.08 -46.71 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.11 -53.47 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.456 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 17.4 mt -56.95 -43.83 81.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -74.14 -12.92 60.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' SER . 5.5 mm-40 -110.97 4.37 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -77.45 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.8 160.7 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 24.8 t -90.98 135.7 28.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 161.82 94.08 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.03 -0.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -98.62 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.629 ' N ' HD22 ' A' ' 81' ' ' LEU . 6.5 mtt180 -86.42 139.68 30.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.704 HD11 HD11 ' A' ' 81' ' ' LEU . 86.5 mt -141.94 118.74 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.3 tt0 -85.86 111.06 19.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 10' ' ' VAL . 12.1 mt -98.7 150.85 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -106.76 100.7 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.13 104.23 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -142.77 81.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 127.91 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.52 180.0 20.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.61 14.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.01 -59.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.5 p -172.58 124.01 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.56 99.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -126.36 113.73 17.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.26 61.35 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -55.67 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 m 58.28 161.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.12 132.3 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.94 157.3 23.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 46.7 m -114.89 161.93 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 85' ' ' LEU . 9.9 t -122.18 148.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 88.07 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 ' CE3' ' A' ' 18' ' ' TRP . 6.8 t -72.47 156.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.89 97.94 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.48 -168.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.36 4.12 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.011 0.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.831 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.79 165.89 23.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.831 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.09 40.56 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.407 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 33.8 m95 -85.69 -60.0 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.9 37.8 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 5.1 p90 -144.3 152.34 40.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.7 mtt180 -112.93 -177.53 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 21' ' ' ARG . 12.0 pt -153.87 168.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.71 178.91 7.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.47 -138.52 48.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.75 179.19 19.59 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.09 -36.67 82.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.83 -39.32 91.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -95.7 12.05 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 m80 50.45 25.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.6 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.4 p -123.44 159.68 53.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.95 144.24 30.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.33 104.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.58 145.18 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 79.9 t -80.85 138.57 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 81.3 p -102.84 -49.38 3.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 157.07 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' CA ' ' A' ' 49' ' ' ARG . 28.7 t -143.7 103.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 17.8 m -47.32 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.18 140.21 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 43.52 39.29 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -101.0 -139.86 10.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 11.8 mmtm -90.54 -50.69 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -61.04 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -40.22 -40.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -44.56 -48.34 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.34 -78.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 171.82 41.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.3 tp -92.57 141.06 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.528 ' CA ' HG21 ' A' ' 37' ' ' VAL . 5.5 mtt-85 -141.46 157.38 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.5 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.52 -27.75 5.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' HD13 ' A' ' 85' ' ' LEU . 23.5 m-20 -55.06 124.08 15.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -80.86 111.94 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 32' ' ' ILE . 10.9 mt -71.05 109.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.87 -49.39 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.68 173.24 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.876 HD12 ' SD ' ' A' ' 65' ' ' MET . 63.0 mt -130.44 101.25 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER 72.98 7.89 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.5 -10.94 12.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.7 OUTLIER -92.73 118.69 31.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.55 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.97 4.38 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.12 70.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 6.3 m-20 -122.19 58.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.7 mtt -119.22 121.91 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.1 mt -68.03 151.0 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.81 -21.94 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.65 -25.98 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.813 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.1 mm-40 -69.63 -57.55 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.8 -40.35 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.2 -47.33 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 18.7 t -66.24 -60.53 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -58.05 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.8 -49.67 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -63.64 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' SER . 7.6 mt-30 -102.34 10.86 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.682 ' OG ' HD13 ' A' ' 81' ' ' LEU . 4.5 t -93.79 134.76 35.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.44 -159.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 11.5 p -129.48 139.97 37.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.01 161.19 95.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.975 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD13 ' OG ' ' A' ' 77' ' ' SER . 2.5 tp -105.25 116.55 32.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -86.38 129.66 34.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 81' ' ' LEU . 77.0 mt -134.96 123.08 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.8 tt0 -91.12 122.58 33.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 10' ' ' VAL . 17.3 mt -110.44 140.08 45.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -98.3 100.94 12.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.61 101.2 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.2 t -128.05 109.95 12.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 163.87 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.11 159.71 35.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.12 42.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 144.47 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m 60.32 84.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 62.68 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.036 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -175.2 101.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.58 -115.96 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.098 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -45.46 150.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.2 138.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.0 127.83 9.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.81 157.62 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.0 m -114.41 161.73 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 85' ' ' LEU . 10.9 t -122.05 148.85 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.74 88.07 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 18' ' ' TRP . 21.8 t -78.54 156.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.78 88.96 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -56.24 -160.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -165.36 4.1 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 -0.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -77.56 165.56 50.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.845 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 170.56 71.51 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CE2' HD22 ' A' ' 81' ' ' LEU . 54.0 m95 -85.22 -61.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' THR . . . 115.2 35.04 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 16.5 p90 -144.84 151.51 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.7 mtt180 -115.46 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.441 HD11 ' HG2' ' A' ' 71' ' ' GLN . 9.2 pt -136.36 174.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 35' ' ' THR . 2.7 t -151.2 -176.97 5.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.47 -137.18 45.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.48 175.09 19.56 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -59.1 -34.22 71.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.18 -46.45 87.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -87.05 9.65 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.62 28.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.581 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.3 p -128.78 160.51 62.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 144.53 30.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.52 101.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.3 mt -110.88 150.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 48' ' ' LEU . 99.5 t -87.76 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 23' ' ' SER . 5.5 p -90.05 -50.62 5.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 164.15 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' O ' ' A' ' 48' ' ' LEU . 88.1 t -143.68 96.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLY . 22.4 m -49.55 127.18 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 157.73 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.28 29.9 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -110.72 159.24 13.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.4 mptt -39.59 -47.39 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -56.55 -73.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -46.0 -37.9 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -45.86 -44.95 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.53 -79.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 41.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.885 ' O ' HG11 ' A' ' 37' ' ' VAL . 59.6 tp -91.23 132.45 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -133.33 158.73 74.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.95 9.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.69 -14.63 12.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.6 124.53 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 33' ' ' ILE . 75.5 mt -82.67 113.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.76 111.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -80.13 -49.1 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.44 170.06 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.942 HD12 ' SD ' ' A' ' 65' ' ' MET . 55.5 mt -130.06 101.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.83 7.14 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.59 -13.76 10.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.1 tp60 -91.43 120.87 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.64 147.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -126.53 12.49 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.94 -34.11 75.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -123.16 47.33 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.942 ' SD ' HD12 ' A' ' 57' ' ' ILE . 13.5 mtt -106.75 106.28 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.68 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.3 mt -51.12 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -63.02 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -21.98 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.68 ' HG3' HD12 ' A' ' 66' ' ' LEU . 11.3 mm-40 -70.73 -59.39 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.62 -39.27 76.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG2' HD11 ' A' ' 22' ' ' ILE . 21.3 mm-40 -61.96 -53.03 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -55.71 -58.08 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -56.35 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.9 mt -51.76 -41.82 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -39.08 92.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -99.44 36.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.751 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -109.93 127.73 54.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.05 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 98.6 p -111.62 140.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 161.52 94.67 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.989 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 77' ' ' SER . 5.1 tp -105.53 100.27 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.6 ttm180 -71.0 133.9 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 57' ' ' ILE . 84.3 mt -138.69 119.33 14.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.5 tt0 -90.94 114.6 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.807 HD11 HG21 ' A' ' 10' ' ' VAL . 9.3 mt -101.0 142.17 32.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -95.72 100.83 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.68 106.42 11.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t -143.74 87.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.58 132.65 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.0 171.27 27.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.0 11.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.0 p -160.81 128.51 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 m -89.73 96.53 10.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -83.55 142.12 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.025 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -114.82 168.99 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.17 123.6 0.67 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.4 p -138.79 154.54 48.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -95.71 166.72 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.45 125.5 4.69 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.55 156.31 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 31.8 m -106.86 161.52 14.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.7 p -136.75 146.02 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.43 109.9 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 18' ' ' TRP . 28.2 t -107.22 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -94.83 106.95 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -87.84 -104.44 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.01 177.12 40.48 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.46 158.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.09 168.89 76.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.934 -2.527 . . . . 0.0 110.982 0.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.633 ' CE3' HG12 ' A' ' 12' ' ' VAL . 58.4 m95 -94.61 -67.92 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 117.56 37.76 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 14.9 p90 -140.55 151.37 44.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -115.83 167.17 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.7 pt -134.51 173.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -146.34 179.52 7.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.33 -131.01 51.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 105.43 169.69 23.79 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' CD ' ' HB3' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -54.25 -38.37 65.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.83 -45.66 85.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -90.89 12.31 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 m80 52.69 30.27 8.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.5 p -129.13 159.72 67.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.98 144.13 29.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.757 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.34 102.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 ' HG2' ' A' ' 31' ' ' PRO . 5.8 mt -111.61 145.84 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.0 t -79.06 134.98 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.8 p -97.49 -50.86 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 160.43 31.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.473 HG11 ' O ' ' A' ' 48' ' ' LEU . 74.3 t -143.35 105.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 8.3 m -49.28 126.78 13.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 4.2 tp10 -74.22 141.69 45.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 47.05 34.98 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.721 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -103.42 -147.07 17.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.2 mmtm -85.93 -47.28 9.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -59.23 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -44.05 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -43.47 -51.18 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.0 38.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' HG11 ' A' ' 37' ' ' VAL . 48.8 tp -95.89 127.82 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 157.93 67.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.77 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 117.24 -28.31 7.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.133 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.78 128.94 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.46 HG12 ' CG1' ' A' ' 33' ' ' ILE . 70.5 mt -85.69 113.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 32' ' ' ILE . 40.1 mt -70.13 111.38 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.2 t -79.24 -48.87 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.6 172.38 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.8 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.9 mt -131.81 101.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 71.59 8.61 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 -10.69 13.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.18 119.32 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 0.804 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.71 144.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.78 10.9 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.74 79.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' HB3' ' CD ' ' A' ' 26' ' ' ARG . 69.0 m-80 -123.22 57.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.8 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.7 mtt -113.14 124.89 53.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.0 mt -65.8 151.2 47.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.11 -24.56 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.38 -27.05 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.7 mm-40 -68.48 -54.86 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -64.95 -48.43 74.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' GLN . 25.3 t -60.86 -58.14 9.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.06 -57.02 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.475 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 5.8 mt -53.17 -54.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -59.71 -18.54 43.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' SER . 4.0 mm-40 -114.58 24.46 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.732 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -101.38 123.91 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.13 176.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.6 p -106.73 140.05 20.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.54 94.63 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.01 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.732 HD13 ' OG ' ' A' ' 77' ' ' SER . 4.9 tp -111.0 104.42 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -79.55 128.33 33.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.693 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.6 mt -133.86 122.13 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.3 tt0 -86.09 121.52 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.37 139.17 43.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -97.09 101.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.58 106.11 16.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -134.07 78.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.81 171.44 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -131.23 160.12 23.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 m -128.41 130.7 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.37 130.29 42.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.11 161.53 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -127.96 171.21 12.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 -164.85 22.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -118.79 177.35 4.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 p -124.69 149.96 46.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.18 119.2 4.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -106.9 157.67 17.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.6 m -118.99 152.02 37.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 7.2 p -116.63 155.77 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.87 94.91 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.39 155.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.13 99.0 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.92 -164.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.424 1.077 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 18.3 Cg_endo -75.0 -162.98 2.95 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.992 -0.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -93.36 166.26 16.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.851 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.99 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.549 ' CE2' HD22 ' A' ' 81' ' ' LEU . 24.2 m95 -79.58 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.61 38.32 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 13.4 p90 -145.28 145.23 31.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' C ' HG23 ' A' ' 22' ' ' ILE . 17.8 mtt180 -101.5 -177.69 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' C ' ' A' ' 21' ' ' ARG . 7.0 pt -154.49 174.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -151.97 177.22 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.84 -144.84 49.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.96 156.63 12.46 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.5 tpm_? -39.32 -35.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -55.38 -58.24 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -84.72 12.8 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.5 m80 53.25 29.85 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.2 p -124.71 159.26 59.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.527 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.1 Cg_endo -75.0 143.35 28.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -66.13 101.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mt -109.57 146.47 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 50' ' ' PRO . 72.6 t -83.43 124.09 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -79.61 -56.92 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.15 145.94 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -124.77 129.34 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -50.49 109.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.37 154.75 4.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.79 29.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.708 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -102.97 -158.14 25.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 15' ' ' PRO . 3.2 mtmp? -74.48 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -43.65 -60.63 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -47.25 84.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -46.43 -38.19 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.55 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.49 29.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' HB1' ' A' ' 43' ' ' ALA . 26.4 tp -97.3 152.7 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -160.95 158.6 24.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.587 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.1 Cg_endo -75.04 129.32 12.2 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.88 -4.52 25.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CG ' HD13 ' A' ' 85' ' ' LEU . 8.6 m-20 -83.71 125.79 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 83.2 mt -82.96 111.36 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.09 109.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.74 -48.58 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.15 173.29 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.2 mt -133.84 101.35 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER 72.94 11.97 5.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.09 -6.15 27.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -98.39 118.44 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.63 148.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 7.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.19 69.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 3.5 p30 -123.35 60.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 57' ' ' ILE . 28.6 mtt -121.4 120.31 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.5 mt -67.79 153.5 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.01 -21.44 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.56 -27.41 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.787 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -68.37 -56.84 7.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.72 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.25 -42.82 99.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.2 t -69.32 -54.69 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -57.47 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.8 mt -53.52 -44.07 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -66.16 -29.22 69.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.8 mt-30 -109.75 39.88 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.631 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -110.85 126.37 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.86 157.91 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 39.8 t -93.03 143.7 27.2 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.95 161.77 94.17 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 83' ' ' LEU . 3.0 tp -104.49 110.48 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.2 ttm180 -88.5 117.14 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.78 HD11 HD21 ' A' ' 81' ' ' LEU . 47.6 mt -123.07 118.17 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 23.4 tt0 -86.35 114.52 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 52' ' ' ASP . 15.9 mt -101.61 143.68 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.605 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.23 101.24 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -111.64 103.93 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t -116.55 82.57 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.74 167.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.0 -179.01 37.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.0 2.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.7 m -165.31 164.52 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 p -158.37 116.55 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.96 152.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 0.725 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -103.55 118.02 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.87 156.48 7.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -46.49 161.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -141.05 142.61 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.46 125.15 2.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.85 156.8 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.1 m -110.65 161.64 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 83' ' ' LEU . 13.5 p -136.63 155.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 96.56 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG12 ' CE3' ' A' ' 18' ' ' TRP . 25.1 t -90.64 99.29 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -90.61 102.8 15.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -85.39 -105.61 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.482 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 179.02 32.1 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.004 -0.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -38.93 157.45 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 171.74 66.56 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.037 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.695 ' CE3' HG12 ' A' ' 12' ' ' VAL . 59.9 m95 -97.87 -66.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.24 42.77 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 19.9 p90 -145.15 150.29 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -113.37 166.54 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.3 pt -137.18 166.65 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.21 176.86 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.981 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.69 -134.05 49.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 109.31 166.34 20.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 1.3 tpm_? -51.04 -39.91 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 0.735 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -49.51 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -86.23 10.29 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.91 21.2 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.6 p -119.64 159.02 47.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.513 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.03 145.48 31.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.62 102.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.513 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -111.84 145.95 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -79.85 141.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.2 p -106.09 -50.53 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.35 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 48' ' ' LEU . 76.3 t -141.09 101.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m -47.97 125.08 8.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -75.15 144.78 42.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 52.51 20.21 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.13 -146.4 13.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.763 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 15.6 mmtm -88.7 -59.8 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -45.98 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ALA . 8.4 tm-20 -38.81 -44.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -44.85 -50.73 10.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -67.98 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 176.69 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 32.0 tp -95.06 126.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -126.17 158.77 65.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.25 -26.33 8.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.01 129.53 38.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.6 mt -87.17 111.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.91 109.83 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.74 -47.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.91 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.0 mt -128.62 102.5 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 73.54 5.46 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.52 -4.53 13.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -100.08 117.54 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 143.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.98 2.8 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -26.6 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 4.1 p30 -127.26 53.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.9 mtt -116.6 122.11 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -68.45 152.14 45.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -53.18 -21.3 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.06 -27.49 16.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.809 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.4 mm-40 -70.15 -59.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.75 -34.68 69.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -66.82 -46.41 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -64.11 -58.5 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -58.62 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.1 mt -50.33 -49.74 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.46 78.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -97.24 24.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.812 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -99.05 121.52 41.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 172.04 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 29.2 t -101.7 139.97 20.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.01 161.39 94.94 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.959 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.812 HD13 ' OG ' ' A' ' 77' ' ' SER . 7.6 tp -110.08 103.63 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 ttt180 -78.02 133.94 37.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 57' ' ' ILE . 78.6 mt -140.72 120.64 13.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.8 tt0 -87.26 118.46 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.57 143.59 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.82 100.81 11.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -110.75 104.93 13.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.28 88.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 163.44 39.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -145.81 149.57 21.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -75.01 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' PRO . 0.5 OUTLIER 39.89 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.6 t -61.79 135.07 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -75.97 -57.63 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.98 145.94 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.43 -107.01 1.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p -70.73 131.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 m -138.24 81.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.98 120.85 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.97 156.65 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 92.8 m -111.42 161.48 16.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 47' ' ' ASP . 12.6 p -128.37 155.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.78 93.34 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -76.91 156.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.2 106.54 14.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.8 -167.18 7.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.7 3.72 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.008 -0.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -84.97 164.95 39.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.823 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.5 Cg_endo -74.99 168.36 77.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.057 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.755 ' CZ2' HD22 ' A' ' 81' ' ' LEU . 39.2 m95 -79.14 -49.57 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.36 15.79 7.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.2 p90 -132.89 146.51 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 -177.2 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 ' HG2' ' A' ' 71' ' ' GLN . 17.8 pt -149.28 173.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.596 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -150.83 176.74 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.17 -140.24 46.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 116.48 -173.68 14.84 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.7 -34.81 77.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.43 -53.66 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -82.12 8.23 11.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.9 m80 54.68 31.64 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.98 158.62 70.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 144.87 30.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.2 110.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.487 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.1 mt -117.45 148.88 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 50' ' ' PRO . 70.7 t -82.74 126.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.596 HG22 ' HB2' ' A' ' 23' ' ' SER . 29.3 p -84.97 -54.74 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 149.8 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.28 134.56 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 134.97 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -82.16 146.82 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 54.0 41.77 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.656 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -118.58 -141.74 6.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -84.42 -47.39 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB3' HG23 ' A' ' 37' ' ' VAL . . . -64.34 -70.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.64 -51.22 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -43.37 -46.86 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 10' ' ' VAL . 12.2 m-20 -172.6 35.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 20' ' ' PHE . 16.8 tp -99.27 147.22 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HA ' HG11 ' A' ' 37' ' ' VAL . 2.1 mtt180 -155.15 157.27 31.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.99 122.86 7.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.24 -13.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.41 135.69 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.4 mt -92.39 112.4 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.86 111.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.25 -47.54 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.33 175.82 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.896 HD12 ' SD ' ' A' ' 65' ' ' MET . 53.8 mt -131.05 101.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 70.0 9.07 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.8 -5.32 18.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -97.75 119.09 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 4.6 p -38.7 147.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.04 5.0 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.9 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -127.76 54.22 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.896 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.4 mtt -114.21 117.43 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.766 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -64.12 151.07 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.2 t60 -51.89 -22.42 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.46 -27.25 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.2 mm-40 -70.29 -58.28 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -61.47 -35.76 78.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 22' ' ' ILE . 8.6 mm-40 -62.42 -50.99 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t -65.96 -55.99 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -46.34 -56.77 5.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' SER . 11.5 mt -50.47 -60.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.23 -56.81 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.91 -14.2 20.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.702 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -68.57 125.08 25.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.02 -176.01 4.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 78.3 p -109.7 140.7 22.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.26 95.2 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.949 0.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CZ2' ' A' ' 18' ' ' TRP . 9.4 tp -106.83 111.87 24.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 mtm180 -87.95 134.79 33.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 57' ' ' ILE . 82.9 mt -140.91 118.94 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.8 tt0 -85.96 117.14 24.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -103.13 147.17 27.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -102.4 100.88 11.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.54 105.83 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -150.43 92.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.81 -46.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.55 155.72 13.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.47 43.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.424 1.75 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 t -167.03 102.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m 56.71 167.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.76 -58.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -161.12 114.89 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.38 151.38 5.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -67.84 143.36 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -129.17 121.16 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.08 133.36 6.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.32 157.57 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.7 m -113.71 161.82 17.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 85' ' ' LEU . 15.5 t -121.28 154.62 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.21 88.26 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG11 ' CE3' ' A' ' 18' ' ' TRP . 29.8 t -74.98 140.71 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -107.95 93.48 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.11 -163.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.38 2.77 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.002 -0.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -85.64 165.94 32.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.844 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 178.6 33.98 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.021 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CE3' HG11 ' A' ' 12' ' ' VAL . 40.2 m95 -87.19 -61.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 112.92 36.95 1.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.452 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 11.0 p90 -144.62 151.04 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -115.89 167.83 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.0 pt -136.19 174.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.587 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.75 -179.42 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.53 -133.27 49.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.99 177.03 20.53 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -59.87 -54.84 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -80.1 5.11 15.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.8 m170 60.74 30.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 p -128.25 160.23 63.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 144.01 29.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.745 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.7 104.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -113.72 148.46 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 48' ' ' LEU . 87.2 t -82.75 131.07 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.3 p -91.6 -50.94 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.07 161.84 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 48' ' ' LEU . 79.2 t -143.56 102.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.742 HG22 ' H ' ' A' ' 40' ' ' ARG . 43.6 m -47.47 129.49 13.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -81.12 7.4 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.742 ' H ' HG22 ' A' ' 38' ' ' THR . 4.5 mmt180 -149.9 49.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.27 -171.56 12.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.2 mptt -76.71 -32.12 57.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -54.72 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -45.52 46.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.53 -37.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.65 -96.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.03 32.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 34' ' ' VAL . 43.6 tp -85.39 128.4 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.41 158.75 68.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.39 8.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 -26.56 9.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.3 121.43 8.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 33' ' ' ILE . 84.2 mt -80.21 109.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.12 111.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.96 -48.18 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.32 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.974 HD12 ' SD ' ' A' ' 65' ' ' MET . 51.4 mt -129.04 101.6 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 m-20 70.75 7.73 6.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.93 -13.1 10.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -89.79 118.3 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -39.98 140.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.03 0.07 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -41.22 76.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -114.43 48.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.974 ' SD ' HD12 ' A' ' 57' ' ' ILE . 10.5 mtt -108.89 125.91 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -69.77 155.58 40.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.84 -21.16 27.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.648 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.94 -24.34 17.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.6 mm-40 -70.61 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -58.65 -26.99 64.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -73.99 -43.96 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 t -67.03 -55.36 14.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.41 -57.24 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -51.67 -52.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -61.95 -19.17 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -117.05 32.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.65 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -108.07 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.22 171.15 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 5.5 t -106.9 139.09 20.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.99 161.2 95.34 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.989 0.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.65 HD13 ' CB ' ' A' ' 77' ' ' SER . 0.8 OUTLIER -106.78 110.19 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.33 139.38 38.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 98.9 mt -142.14 116.5 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.5 tt0 -87.16 109.8 19.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 10' ' ' VAL . 17.6 mt -95.61 146.98 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.632 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.28 101.23 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.97 105.6 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 t -156.15 83.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.35 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 157.78 20.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.67 34.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -174.6 140.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.04 95.78 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.07 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.11 164.77 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -57.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.87 94.79 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -59.06 139.93 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.47 165.91 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.58 124.46 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.52 156.95 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 65.7 m -110.72 161.91 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.817 HG21 HD11 ' A' ' 85' ' ' LEU . 10.2 t -122.72 155.74 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.33 88.46 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 12.7 t -77.7 132.72 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -104.52 95.42 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.76 -161.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.4 2.47 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.035 -0.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.97 165.89 20.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.837 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.05 167.18 81.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.968 -2.514 . . . . 0.0 110.981 0.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 27.4 m95 -76.94 -65.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.93 36.36 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.7 p90 -144.33 150.86 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -114.49 170.29 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -139.63 167.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.3 -178.4 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' CA ' ' OG1' ' A' ' 30' ' ' THR . . . 55.79 -134.38 49.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.93 162.14 20.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -49.35 -34.15 15.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.83 -50.84 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -85.6 9.25 16.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 56.67 32.92 21.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' CA ' ' A' ' 24' ' ' GLY . 3.2 p -131.78 159.49 71.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.98 142.91 28.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mm -66.67 104.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -115.11 146.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 48' ' ' LEU . 92.5 t -81.69 135.1 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.3 p -101.13 -48.74 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -122.36 152.81 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -141.74 97.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.725 HG22 ' H ' ' A' ' 40' ' ' ARG . 41.0 m -47.81 126.51 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.2 3.6 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.725 ' H ' HG22 ' A' ' 38' ' ' THR . 13.3 mmt180 -146.85 49.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.69 -166.55 12.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 5.5 mptt -83.85 -17.73 39.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.535 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -74.36 -72.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -41.83 -50.83 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.53 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.23 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.81 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.724 HD11 HG21 ' A' ' 34' ' ' VAL . 59.5 tp -90.74 140.91 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.38 156.85 74.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 121.64 6.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.89 -19.1 11.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -61.78 125.17 22.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -81.33 110.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.1 108.89 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.5 t -76.53 -48.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.53 10.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.954 HD12 ' SD ' ' A' ' 65' ' ' MET . 45.6 mt -131.55 101.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.3 7.88 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.52 -11.37 12.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -92.35 120.29 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.6 m -39.22 141.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.5 4.16 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.53 -34.2 70.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -122.87 58.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.954 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.8 mtt -116.36 123.54 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.72 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -68.92 150.23 47.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -51.01 -22.74 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.45 -29.0 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.72 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.8 mm-40 -69.69 -55.69 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -62.13 -29.09 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -73.54 -44.61 57.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLN . 20.3 t -64.62 -55.28 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -58.95 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -49.15 -51.32 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -28.19 69.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.4 mt-30 -107.04 31.93 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -107.87 126.29 52.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.39 -178.11 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 74.2 p -117.06 140.65 27.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.0 Cg_endo -75.05 161.37 94.95 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.958 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.3 tp -104.1 110.38 22.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -80.7 135.68 36.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 79.8 mt -137.73 116.55 12.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 17.7 tt0 -86.77 109.92 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 10' ' ' VAL . 12.9 mt -97.25 145.59 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.66 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.38 100.76 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -114.54 105.81 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -134.17 86.31 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -169.65 167.28 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.45 157.77 21.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.52 38.09 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.81 161.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -47.47 155.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.063 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -63.15 158.46 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.67 -55.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.74 77.07 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -115.11 168.74 9.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -141.83 145.46 34.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.7 125.74 2.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -104.58 157.21 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 94.7 m -116.11 158.35 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 83' ' ' LEU . 3.3 p -131.53 148.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.49 93.08 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.583 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 46.7 t -72.99 136.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.18 109.7 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -70.08 -166.21 5.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.99 -164.03 3.42 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.826 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -87.64 166.2 26.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.826 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.96 177.51 38.72 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.041 -0.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 81' ' ' LEU . 15.5 m95 -87.01 -59.42 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 107.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.28 39.95 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.1 p90 -144.42 152.46 40.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -115.11 -179.18 3.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 8.2 pt -148.23 172.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -142.06 177.91 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.37 -134.83 52.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.1 161.11 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -51.05 -34.6 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.13 -45.62 93.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -86.64 3.41 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 57.15 39.68 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -136.33 161.27 63.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 138.67 23.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 22' ' ' ILE . 2.5 mt -69.65 107.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.6 mt -115.22 144.88 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HD11 ' A' ' 48' ' ' LEU . 93.4 t -75.29 133.13 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -97.51 -48.97 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 154.42 45.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG2' HG11 ' A' ' 34' ' ' VAL . 58.6 t -138.59 107.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -47.49 130.97 14.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.345 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.08 140.24 40.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 46.11 37.69 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.83 -148.87 21.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -84.48 -42.42 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -64.15 -69.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -42.26 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.1 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -67.54 -88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 178.45 38.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.65 HD11 HG21 ' A' ' 34' ' ' VAL . 57.7 tp -96.14 139.23 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -138.99 158.73 69.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.16 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 114.65 -23.64 11.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 68.3 m-20 -58.44 127.93 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 31' ' ' PRO . 61.1 mt -84.28 115.71 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.75 115.34 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -87.78 -46.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.44 174.31 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.86 HD12 ' SD ' ' A' ' 65' ' ' MET . 60.7 mt -133.97 101.74 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t30 73.2 12.63 4.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.71 -10.48 27.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -93.75 120.71 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -39.38 139.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.983 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.19 7.66 11.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.35 -36.63 84.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -112.15 41.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.86 ' SD ' HD12 ' A' ' 57' ' ' ILE . 26.4 mtt -109.46 112.54 24.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -60.92 157.02 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 19.9 t60 -57.27 -21.35 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.32 -23.46 18.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.635 ' HG3' HD12 ' A' ' 66' ' ' LEU . 28.6 mt-10 -72.65 -64.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -57.35 -43.64 83.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 4.6 mm-40 -46.28 -52.76 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LYS . 14.4 t -73.4 -54.3 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.3 mmtt -38.45 -62.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 4.3 mt -42.57 -58.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' LYS . 4.2 mt-30 -85.72 -4.24 59.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.797 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.11 126.16 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 160.72 31.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.4 p -90.96 135.66 28.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.04 161.94 93.82 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.993 0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -101.86 105.8 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.627 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 ttm180 -80.91 135.6 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 81' ' ' LEU . 61.2 mt -137.03 120.68 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.6 tt0 -86.18 115.57 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mt -103.31 146.06 29.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.567 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.85 101.42 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -107.92 104.96 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t -153.11 94.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.021 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.52 -43.06 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.02 -144.7 18.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -178.81 4.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.807 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 166.8 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 t -94.04 128.84 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 p -78.89 100.26 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -112.81 105.5 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.59 117.58 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -152.7 -54.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.33 128.38 40.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.65 134.39 3.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.19 157.72 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 82' ' ' ARG . 5.7 m -114.46 158.0 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.24 133.22 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.59 110.34 22.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -97.68 115.51 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 120.61 13.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -88.59 -165.04 40.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.97 -162.55 2.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.96 -0.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -80.67 167.26 33.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.885 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -74.98 179.03 32.08 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.034 -0.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.88 ' CE2' HD22 ' A' ' 81' ' ' LEU . 33.5 m95 -91.64 -56.74 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.59 34.47 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.9 p90 -144.6 150.65 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 22' ' ' ILE . 63.8 mtt180 -107.7 -177.78 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' HG2' ' A' ' 71' ' ' GLN . 10.6 pt -153.04 169.42 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -145.49 -178.51 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.6 -138.24 46.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.45 178.46 17.56 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -68.41 -17.87 64.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.85 -45.75 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.25 10.93 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.1 m80 59.51 24.21 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -122.34 158.45 55.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.567 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.97 149.03 36.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -70.3 100.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.567 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.8 mt -109.62 150.2 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -84.52 138.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' SER . 21.5 p -102.19 -51.38 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 153.84 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 48' ' ' LEU . 78.0 t -137.39 110.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 24.3 m -48.43 124.07 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -68.26 148.35 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' GLU . 4.0 mmp_? 38.2 41.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -105.6 -149.96 18.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -84.66 -52.03 6.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -56.89 -73.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -40.0 -53.7 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -43.35 -48.42 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.97 35.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.5 tp -101.0 129.35 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -131.27 163.16 51.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.91 11.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -36.92 3.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -45.83 129.26 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.5 mt -88.06 111.82 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.18 107.28 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -78.2 -57.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.43 170.62 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.843 HD12 ' SD ' ' A' ' 65' ' ' MET . 65.2 mt -131.81 103.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 m-20 69.36 20.43 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.66 -7.35 53.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.67 117.94 31.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -39.86 146.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 55' ' ' VAL . . . -134.43 13.23 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -31.02 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -121.42 50.4 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.843 ' SD ' HD12 ' A' ' 57' ' ' ILE . 15.7 mtt -108.8 117.61 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.767 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -63.41 159.32 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 18.9 t60 -58.71 -23.09 59.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.77 -23.25 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.767 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -72.02 -60.86 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.99 83.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.672 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.0 mm100 -60.97 -43.22 99.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -72.33 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.3 mttp -57.37 -56.68 18.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' A' ' 18' ' ' TRP . 6.3 mt -50.37 -45.33 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.34 -46.69 75.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -95.13 33.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.754 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -95.6 127.38 41.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 143.74 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 1.2 p -88.83 149.34 43.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -75.02 162.05 93.61 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.005 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.88 HD22 ' CE2' ' A' ' 18' ' ' TRP . 18.9 tp -94.59 123.04 37.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.603 ' C ' HD13 ' A' ' 83' ' ' LEU . 4.6 ttm180 -117.46 96.89 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.06 124.45 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.2 tt0 -85.65 105.44 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 8' ' ' LEU . 4.5 mt -88.63 146.73 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.717 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -102.38 100.57 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -118.44 106.36 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -110.01 71.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -155.39 177.4 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.35 143.78 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t 68.91 -69.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.9 m -132.85 127.01 33.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -91.19 -58.21 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.714 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.58 164.45 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.44 128.84 3.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m 66.47 162.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 126.58 0.79 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.64 157.0 24.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 81.8 m -110.43 161.31 15.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LEU . 4.6 p -136.42 150.87 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 98.5 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.3 t -96.62 106.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -95.39 105.27 17.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -84.93 -105.48 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.04 176.82 41.81 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.951 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.44 157.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 169.44 74.53 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.967 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.753 ' CE2' HD22 ' A' ' 81' ' ' LEU . 62.5 m95 -94.82 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.54 0.82 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 12.3 p90 -144.47 146.95 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -106.08 177.53 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 32' ' ' ILE . 9.4 pt -147.58 175.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.52 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.61 -179.54 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.6 47.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.94 157.53 14.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.37 -39.37 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.07 -55.04 31.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 80.5 m-85 -83.64 13.08 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 53.09 34.07 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.0 p -133.33 159.73 71.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 144.27 29.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG23 HD12 ' A' ' 22' ' ' ILE . 2.8 mm -66.43 105.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.8 mt -112.43 145.98 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.4 t -82.8 125.53 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.8 p -81.97 -56.29 4.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -150.04 145.63 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.512 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -125.54 123.2 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m -48.56 136.44 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.83 139.79 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' NH1' ' HA ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 62.12 14.79 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.69 -150.38 5.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.691 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 13.0 mmtm -89.47 -47.1 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -56.08 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.75 -38.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -48.95 -53.81 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -170.39 33.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 27.1 tp -93.37 143.72 26.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.88 158.54 33.92 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.3 Cg_endo -75.0 129.61 12.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.41 -7.58 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 37.2 m-20 -81.61 131.03 35.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 60.4 mt -87.11 111.03 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.93 109.17 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.66 -48.32 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.92 169.14 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.99 HD12 ' SD ' ' A' ' 65' ' ' MET . 78.8 mt -131.37 101.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 72.14 12.06 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.27 -11.14 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -94.07 117.39 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.91 144.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.18 9.6 11.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -37.02 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -120.94 56.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.99 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.4 mtt -115.49 121.53 42.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.789 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -67.59 150.86 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 11.1 t60 -51.72 -22.1 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.34 -28.5 16.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.789 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.9 mm-40 -69.18 -56.17 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.76 77.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 14.6 mm-40 -66.32 -43.01 87.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -55.8 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.15 -57.36 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.29 -43.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -43.63 95.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -89.5 19.99 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.766 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -93.91 122.86 36.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.51 168.06 15.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 76.4 p -96.79 140.56 22.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.0 161.73 94.27 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.015 -0.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 ' OG ' ' A' ' 77' ' ' SER . 9.7 tp -111.05 106.26 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -81.22 125.63 30.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.668 ' O ' HG12 ' A' ' 10' ' ' VAL . 41.0 mt -131.63 117.45 18.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 55' ' ' VAL . 10.2 tt0 -86.36 115.27 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.62 144.29 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.608 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.2 t0 -99.34 101.14 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -108.41 103.55 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.84 79.65 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.8 172.51 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -132.42 -160.59 9.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.41 96.0 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.8 166.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.65 100.41 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -111.32 93.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.89 -171.19 45.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -171.61 160.81 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.016 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -74.1 171.65 13.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.5 132.04 6.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.59 157.31 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 26.1 m -119.8 159.57 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.998 HG11 HD23 ' A' ' 48' ' ' LEU . 2.4 p -129.65 153.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.01 96.72 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 18' ' ' TRP . 25.8 t -81.31 123.88 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.37 116.59 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -73.69 -167.51 14.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.02 -163.14 3.02 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.994 -0.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -83.55 166.41 34.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 177.82 37.37 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.988 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m95 -86.81 -51.71 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.06 33.5 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.6 p90 -144.61 149.42 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.2 mtm180 -112.44 -177.3 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.1 pt -148.02 165.71 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -138.55 -177.35 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.46 -134.26 38.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 110.18 159.11 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HD3' ' CA ' ' A' ' 64' ' ' ASN . 1.9 tpt180 -44.33 -39.74 4.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.29 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 30' ' ' THR . 38.0 m-85 -89.65 8.6 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m80 56.09 37.63 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 28' ' ' PHE . 9.9 p -139.46 161.96 54.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.42 27.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 54' ' ' ILE . 3.2 mm -66.45 111.79 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' HG12 ' A' ' 53' ' ' ILE . 9.7 mt -120.45 145.72 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HD11 ' A' ' 48' ' ' LEU . 54.5 t -79.75 140.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.0 OUTLIER -113.73 -45.03 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.21 140.84 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CA ' ' A' ' 49' ' ' ARG . 55.9 t -142.61 105.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -47.68 126.92 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' GLY . 9.7 tp10 -74.81 146.06 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 40.33 28.77 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -96.59 -141.87 12.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -90.75 -46.26 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -61.98 -72.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -42.96 -54.54 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -48.72 -42.69 35.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -63.05 -57.24 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER 157.74 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.998 HD23 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -40.75 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.747 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -168.48 156.81 7.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.75 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . 107.34 -20.42 32.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.36 128.35 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 31' ' ' PRO . 88.8 mt -81.12 110.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.733 HD12 HG22 ' A' ' 32' ' ' ILE . 52.7 mt -69.42 104.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.6 t -71.38 -50.55 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.24 173.15 11.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' SD ' ' A' ' 65' ' ' MET . 87.9 mt -131.53 101.22 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 74.02 6.56 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 -12.95 10.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.438 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.8 tp60 -90.12 123.2 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -41.97 147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.33 -1.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -40.71 71.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' CA ' ' HD3' ' A' ' 26' ' ' ARG . 5.2 p30 -117.89 60.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.92 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.3 mtt -120.48 124.85 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -71.54 152.54 42.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -53.72 -21.33 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 -27.76 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.807 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.2 mm-40 -68.74 -56.94 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -56.62 -44.36 81.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.4 t -70.46 -58.57 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -58.31 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 18' ' ' TRP . 14.5 mt -52.35 -34.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' SER . 12.2 ttt180 -72.67 -43.57 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -93.01 23.16 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.526 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -89.67 134.28 34.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.75 175.4 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 79.3 p -113.59 141.35 25.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 162.16 93.4 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.001 0.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 77' ' ' SER . 4.2 tp -96.11 117.98 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 4.1 ttm180 -94.24 117.19 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.2 mt -119.45 118.34 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.4 tt0 -85.81 116.8 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 48' ' ' LEU . 12.9 mt -105.18 138.55 41.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.582 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -100.37 100.64 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.94 105.83 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 t -137.92 73.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -135.5 -67.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.39 -144.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.5 t -101.65 -53.14 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 t -98.81 169.06 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -155.9 80.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.979 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.71 130.55 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.81 126.62 7.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.52 125.05 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.57 162.74 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.38 129.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.65 157.21 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 97.9 m -115.15 161.12 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 83' ' ' LEU . 11.9 p -130.13 158.33 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.21 98.24 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -86.83 156.3 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.76 106.58 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -66.53 -165.25 1.97 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 18.1 Cg_endo -75.04 -163.5 3.18 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.836 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.88 165.46 31.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.836 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.99 168.54 77.12 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.574 ' CH2' ' CB ' ' A' ' 81' ' ' LEU . 46.9 m95 -79.5 -54.09 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.86 -0.95 10.01 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 22.5 p90 -115.54 146.77 41.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -109.49 -177.18 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.6 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.2 pt -150.08 176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -152.02 179.42 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.99 -139.71 47.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.54 162.7 15.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 HH21 ' CE1' ' A' ' 29' ' ' HIS . 1.5 tpt180 -46.6 -39.52 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 8.4 p-10 -55.95 -52.49 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -83.08 9.65 9.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.438 ' CE1' HH21 ' A' ' 26' ' ' ARG . 13.8 m170 55.85 25.95 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.8 p -126.25 158.89 65.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 149.62 36.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -70.15 108.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -117.75 144.78 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.3 t -80.33 126.52 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 23' ' ' SER . 7.7 p -83.45 -55.65 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -153.29 150.46 28.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.18 132.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -48.39 136.81 12.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -80.98 142.32 33.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 52.31 22.94 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.63 -138.53 6.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.1 mttp -85.75 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -51.27 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -37.96 -48.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -46.32 -55.18 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 10' ' ' VAL . . . -55.01 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.49 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 85' ' ' LEU . 33.8 tp -103.75 150.31 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -155.87 156.97 31.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -7.88 13.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' CB ' HD13 ' A' ' 85' ' ' LEU . 8.7 m-20 -81.46 138.63 35.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 33' ' ' ILE . 78.9 mt -93.01 118.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 32' ' ' ILE . 32.0 mt -75.51 118.35 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -89.5 -45.96 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.38 171.15 14.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 73.1 mt -132.86 101.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.04 9.63 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.4 -10.34 22.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 120.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.4 m -40.0 138.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.36 19.12 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -51.32 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -108.75 50.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 5.9 mtt -99.65 122.45 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.758 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -65.61 153.15 42.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 21.3 t60 -54.39 -21.9 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.18 -25.87 17.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.758 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.0 mm-40 -69.95 -59.05 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.98 -32.23 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.6 ' HG2' HD11 ' A' ' 22' ' ' ILE . 10.1 mm-40 -69.76 -45.65 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -59.3 -53.69 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mt -53.91 -50.42 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -49.57 76.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.72 -7.55 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.667 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -71.22 121.65 18.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.36 173.73 8.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 30.6 t -101.36 139.56 20.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.97 161.24 95.24 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.008 -0.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -106.64 114.48 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.631 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 mtt180 -93.24 144.29 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.2 mt -142.55 117.74 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' VAL . 7.7 tt0 -85.4 114.71 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 48' ' ' LEU . 9.8 mt -102.81 152.35 21.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -105.3 101.05 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -130.42 113.37 14.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m -119.28 162.96 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.95 156.7 15.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 117.22 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 45.38 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.3 p -89.7 151.58 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.11 151.55 44.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -93.05 152.24 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.62 -88.6 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 59.79 160.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.79 142.5 23.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.74 128.87 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.578 HD21 HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -103.64 157.54 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 62.6 m -115.17 160.97 19.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 85' ' ' LEU . 22.0 t -126.49 155.45 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.95 94.45 3.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.1 t -86.18 147.01 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.32 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.32 -167.38 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.71 3.72 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.027 -0.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.41 164.52 26.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -75.0 177.97 36.72 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.026 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.707 ' CE2' HD22 ' A' ' 81' ' ' LEU . 32.1 m95 -86.12 -50.7 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.36 32.13 2.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -144.42 150.55 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 0.722 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -113.5 -177.24 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 22.6 pt -144.64 169.86 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.617 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.68 -178.19 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.77 -133.5 26.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.72 155.33 10.67 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -46.08 -33.3 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.37 -48.52 78.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -88.58 12.12 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 m80 58.19 34.06 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.02 159.52 72.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.96 149.55 37.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -74.37 110.14 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' C ' ' A' ' 51' ' ' GLY . 4.2 mt -118.42 143.2 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.936 HG21 HD11 ' A' ' 48' ' ' LEU . 60.8 t -75.2 138.02 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.4 p -104.87 -47.86 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 147.19 46.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.608 HG21 ' CA ' ' A' ' 49' ' ' ARG . 88.0 t -143.73 110.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -54.59 127.98 30.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -73.9 141.73 46.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.85 34.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -101.82 -138.5 10.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -87.07 -54.2 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -56.85 -70.41 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.15 -47.94 6.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -47.23 -44.12 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -86.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.16 37.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.936 HD11 HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -94.71 164.01 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.827 ' H ' HD13 ' A' ' 48' ' ' LEU . 6.6 mtt180 -173.92 155.55 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.31 13.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 109.03 -18.81 30.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.7 125.37 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.796 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.8 mt -79.64 110.86 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.571 HD12 HG22 ' A' ' 32' ' ' ILE . 48.1 mt -72.42 105.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.723 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -75.5 -47.97 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.56 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.72 HD12 ' SD ' ' A' ' 65' ' ' MET . 47.8 mt -128.58 101.13 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t30 72.81 5.81 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.0 -13.14 10.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.9 tp60 -91.3 119.93 31.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -40.74 140.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.56 10.66 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.23 99.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -115.35 53.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.72 ' SD ' HD12 ' A' ' 57' ' ' ILE . 12.4 mtt -109.1 125.88 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -72.51 150.5 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -53.27 -20.88 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.86 17.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.2 mm-40 -70.19 -58.97 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.75 93.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -46.71 -49.02 20.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' LYS . 42.2 t -75.96 -53.98 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' SER . 9.5 mmtm -39.97 -65.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 18' ' ' TRP . 9.1 mt -39.72 -55.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -50.64 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.32 -8.99 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -72.96 131.58 42.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.24 -179.46 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 38.1 t -108.57 139.08 20.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 161.47 94.78 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.004 -0.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 ' CE2' ' A' ' 18' ' ' TRP . 5.3 tp -102.77 101.92 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 1.4 ttm180 -75.46 133.91 40.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -131.74 116.37 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.1 tt0 -90.16 102.94 15.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 10' ' ' VAL . 5.7 mt -92.89 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.723 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.83 100.67 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.94 102.66 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -138.04 81.74 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.3 172.49 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.61 166.3 12.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -86.68 167.5 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -106.26 122.17 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.65 156.76 27.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 47.6 m -109.33 161.62 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 83' ' ' LEU . 12.4 p -136.05 155.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.81 91.71 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.28 155.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.02 166.46 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.55 -174.16 20.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.84 5.99 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.041 0.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -63.27 164.21 15.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.786 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.39 39.23 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.987 -2.506 . . . . 0.0 110.993 -0.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.536 ' HE1' HG22 ' A' ' 74' ' ' ILE . 53.9 m95 -91.06 -51.65 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 28.11 4.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 10.0 p90 -144.61 153.44 41.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -113.64 172.78 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.4 pt -143.7 172.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -150.9 176.34 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.86 -142.0 44.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 110.51 162.99 18.66 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 3.1 tpm_? -45.71 -33.37 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.62 -50.92 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.55 6.31 41.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 m170 58.47 30.05 19.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.23 160.94 57.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.02 143.74 29.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.5 99.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.5 mt -109.3 146.75 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.0 134.87 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' HB2' ' A' ' 23' ' ' SER . 6.7 p -96.26 -51.7 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 161.4 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.5 97.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.44 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -43.23 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.41 -51.96 24.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 173.86 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.763 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.2 tp -98.59 130.55 45.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.03 161.21 63.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.26 9.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.75 -30.12 6.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 11.5 m-20 -49.62 127.32 15.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.766 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 33' ' ' ILE . 87.4 mt -87.31 112.39 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.01 110.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.89 -48.14 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.49 177.56 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.946 HD12 ' SD ' ' A' ' 65' ' ' MET . 50.6 mt -132.96 101.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 71.82 6.5 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.67 5.56 13.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 57' ' ' ILE . 1.7 tt0 -109.84 117.57 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -38.77 140.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.25 10.15 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.92 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -116.94 63.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HD12 ' A' ' 57' ' ' ILE . 27.4 mtt -123.06 123.03 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.679 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.9 mt -68.58 150.94 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -52.58 -23.08 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.41 -27.13 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.679 ' HG3' HD12 ' A' ' 66' ' ' LEU . 6.3 mm-40 -69.46 -58.71 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.517 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.07 -39.4 74.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.09 -62.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -55.21 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.536 HG22 ' HE1' ' A' ' 18' ' ' TRP . 42.6 mt -55.14 -62.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -43.45 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.68 36.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.594 ' CB ' HD13 ' A' ' 81' ' ' LEU . 3.3 t -115.24 117.65 31.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.17 168.38 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 3.7 p -101.23 141.63 23.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 161.58 94.56 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.02 -2.491 . . . . 0.0 111.026 -0.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.1 tp -105.7 108.06 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 mtm180 -77.24 133.02 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 57' ' ' ILE . 70.4 mt -140.64 119.18 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 tt0 -86.15 114.94 23.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.71 141.75 34.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.589 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -97.43 101.4 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -109.03 104.65 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.3 156.46 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 84.8 m -107.15 161.69 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.2 p -137.25 149.56 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.21 88.99 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.64 150.23 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.96 164.61 13.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -148.34 -168.8 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 -166.15 4.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.005 -0.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -66.53 164.39 32.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.814 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.94 173.92 55.31 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.054 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -87.44 -63.49 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 113.01 36.26 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' ' 74' ' ' ILE . 9.6 p90 -144.94 151.8 39.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 0.803 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 34' ' ' VAL . 43.7 mtt-85 -114.74 171.58 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.6 pt -142.81 169.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -146.12 178.6 8.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.29 -140.37 48.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.51 159.51 15.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -43.16 -38.6 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -54.57 -54.22 44.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -84.72 6.53 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 58.76 31.49 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -129.04 159.82 66.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 143.77 29.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.74 106.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -116.45 145.14 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ARG . 90.4 t -80.58 135.55 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 43.7 p -99.36 -48.42 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 158.15 33.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.9 t -142.57 102.66 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 53.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.98 -49.42 20.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 17.8 t0 -172.63 34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.481 HD23 ' HB1' ' A' ' 43' ' ' ALA . 28.5 tp -90.76 125.44 35.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.64 158.74 63.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.43 -17.11 12.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.41 124.01 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 ' CG1' ' A' ' 33' ' ' ILE . 86.7 mt -81.59 112.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.93 110.78 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.32 -47.76 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.67 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.809 HD12 ' SD ' ' A' ' 65' ' ' MET . 72.4 mt -131.39 102.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t-20 71.91 8.09 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.91 1.88 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -105.1 117.55 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.2 m -38.74 142.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.78 2.83 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -34.93 66.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -121.82 62.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.809 ' SD ' HD12 ' A' ' 57' ' ' ILE . 25.5 mtt -121.53 130.17 53.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt -71.99 149.98 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.25 -21.31 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -24.11 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.8 mm-40 -71.69 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.571 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -53.19 -35.63 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -63.94 -46.47 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.8 t -67.46 -62.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.08 -57.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.664 HG21 ' HZ ' ' A' ' 20' ' ' PHE . 66.4 mt -49.76 -65.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -57.98 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.502 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -53.5 141.78 24.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.88 -170.77 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 2.1 p -112.87 137.22 21.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 161.34 95.02 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.957 -2.518 . . . . 0.0 110.967 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 83' ' ' LEU . 2.3 tp -105.01 106.93 17.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.0 mtm105 -78.77 128.36 33.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 57' ' ' ILE . 83.2 mt -138.74 121.05 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.6 tt0 -86.05 116.7 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.62 143.33 32.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.597 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.19 100.96 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -108.44 102.52 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.05 157.08 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 56.2 m -113.74 156.54 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 82' ' ' ARG . 11.2 p -129.68 155.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.65 102.32 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.52 110.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.5 109.11 6.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -60.15 -162.64 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.96 -162.06 2.67 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.98 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -96.22 166.04 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.82 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.02 175.83 46.15 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.935 -2.527 . . . . 0.0 111.03 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 20.2 m95 -83.78 -55.22 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.41 35.75 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 6.9 p90 -144.72 146.48 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.09 -177.37 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.766 HD11 ' HG2' ' A' ' 71' ' ' GLN . 20.8 pt -147.7 167.39 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.515 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.55 178.87 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.99 -132.96 45.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.55 -178.78 18.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 64' ' ' ASN . 4.0 tpt180 -67.04 -36.17 81.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -40.45 96.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -88.47 4.48 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.17 33.23 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p -134.85 161.61 62.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.12 27.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 54' ' ' ILE . 2.8 mm -66.24 108.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.7 mt -118.72 145.07 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.7 t -78.95 140.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 23' ' ' SER . 23.1 p -106.02 -50.29 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.46 155.47 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.589 HG11 ' O ' ' A' ' 48' ' ' LEU . 73.7 t -143.61 99.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -44.34 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.32 -48.64 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -73.12 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.72 35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' HG11 ' A' ' 37' ' ' VAL . 26.4 tp -86.88 126.66 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 156.85 74.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.495 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 121.28 -25.48 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -55.9 128.83 37.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 31' ' ' PRO . 69.1 mt -84.67 114.77 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 32' ' ' ILE . 22.0 mt -75.06 115.02 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.2 t -85.84 -45.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.6 175.08 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.938 HD12 ' SD ' ' A' ' 65' ' ' MET . 67.2 mt -135.02 101.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 2.1 t-20 79.08 0.09 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.07 -9.6 8.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -96.08 128.89 43.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 150.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -130.99 12.28 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -39.4 85.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 3.9 m-20 -114.68 46.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.938 ' SD ' HD12 ' A' ' 57' ' ' ILE . 9.0 mtt -105.21 122.75 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -66.67 152.03 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -53.46 -22.21 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.1 -25.93 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.1 mm-40 -69.16 -56.83 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -62.6 -31.66 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 22' ' ' ILE . 11.2 mm-40 -72.43 -38.65 68.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 t -78.39 -42.75 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -59.64 -56.16 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.472 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 16.1 mt -50.16 -53.33 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -52.92 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.87 -12.48 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.877 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -64.3 119.87 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 170.53 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 88.2 p -97.2 138.99 21.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.24 95.23 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.016 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.877 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -105.99 113.44 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.646 ' N ' HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.19 141.01 28.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 81' ' ' LEU . 90.1 mt -141.07 119.26 12.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.8 tt0 -85.76 109.05 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 52' ' ' ASP . 8.4 mt -96.74 148.39 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.643 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -103.14 101.2 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -112.8 102.35 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -113.89 156.57 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.505 HG21 ' NE ' ' A' ' 82' ' ' ARG . 93.4 m -108.83 159.52 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 83' ' ' LEU . 5.7 p -130.09 148.36 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.42 88.6 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 73.0 t -66.55 147.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.7 96.59 6.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -57.09 -160.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 -161.81 2.59 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.022 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -88.92 164.3 31.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.93 175.72 46.54 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.023 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 31.9 m95 -83.78 -52.15 6.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.37 29.96 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.9 p90 -137.75 148.49 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -113.14 174.89 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -143.07 170.92 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -144.16 -178.7 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.79 -139.13 46.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.26 159.85 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -47.45 -31.63 4.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -92.87 8.33 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m170 59.15 29.03 18.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -127.54 160.08 62.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.01 144.76 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -68.62 101.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.9 mt -110.78 146.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.18 137.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 76.7 p -99.92 -52.45 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 159.19 30.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.81 97.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.34 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -70.82 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.4 34.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.537 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -89.85 132.49 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -134.84 159.41 72.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.37 -25.14 9.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD2' HD13 ' A' ' 85' ' ' LEU . 1.8 m-20 -55.25 126.49 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.796 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 93.0 mt -84.05 110.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.17 110.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.26 -47.75 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.13 172.83 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.902 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -131.82 101.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 t-20 71.59 8.36 6.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 -11.29 12.79 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.473 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -92.75 120.11 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -39.94 145.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 57' ' ' ILE . . . -122.03 6.27 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -42.85 96.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -114.75 55.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.902 ' SD ' HD12 ' A' ' 57' ' ' ILE . 14.9 mtt -114.43 123.55 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -69.48 153.23 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.02 -22.97 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.22 -26.94 18.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.788 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 mm-40 -69.94 -58.09 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -59.58 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -68.49 -47.69 66.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.9 t -63.36 -57.42 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -46.93 -58.67 3.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 70' ' ' ALA . 7.0 mt -47.73 -56.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -52.61 -54.88 27.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.73 -7.93 31.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -75.8 134.55 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.96 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.79 -171.55 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 23.0 t -111.46 139.72 22.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 160.96 95.78 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.016 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD13 ' OG ' ' A' ' 77' ' ' SER . 5.7 tp -109.17 107.79 18.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.505 ' NE ' HG21 ' A' ' 9' ' ' THR . 3.0 ttp180 -80.65 130.71 35.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.733 ' O ' HG12 ' A' ' 10' ' ' VAL . 88.3 mt -139.68 118.84 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.8 tt0 -86.16 116.37 24.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.452 HD13 ' OD2' ' A' ' 52' ' ' ASP . 13.5 mt -103.28 143.57 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.11 101.14 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -108.88 104.21 13.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.28 157.02 25.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 83.4 m -110.18 156.96 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 83' ' ' LEU . 2.6 p -124.41 146.44 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.25 89.54 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 61.1 t -66.72 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.83 94.33 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -59.35 -159.88 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -162.07 2.67 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.52 164.46 29.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.0 168.0 78.75 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.2 m95 -77.31 -61.09 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 114.95 30.07 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -135.26 149.03 49.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -110.93 175.74 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 pt -144.85 170.01 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -143.75 179.36 7.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.06 -146.54 35.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 118.64 162.77 12.27 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.2 tpm_? -46.02 -36.54 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.95 89.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' GLY . 98.0 m-85 -94.81 0.19 54.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.4 m170 63.92 19.4 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -117.28 161.08 34.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 141.98 27.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.22 108.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -117.97 146.01 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 89.1 t -79.41 135.9 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 20.0 p -99.96 -50.5 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.82 33.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -143.11 101.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 14.1 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.37 -46.51 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.06 -44.55 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -74.75 -94.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -170.48 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -88.4 129.77 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -131.81 158.71 74.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.3 Cg_endo -74.97 121.74 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 118.07 -21.28 10.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 121.07 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.478 HG12 ' CG1' ' A' ' 33' ' ' ILE . 67.4 mt -78.43 110.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.29 109.83 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -76.84 -48.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.77 175.73 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.962 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -135.62 101.76 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER 76.64 7.17 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.65 22.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.24 125.9 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -39.41 144.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -123.33 4.11 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -40.11 86.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -114.34 61.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.962 ' SD ' HD12 ' A' ' 57' ' ' ILE . 23.9 mtt -121.56 122.15 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.677 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.1 mt -69.24 151.47 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -52.41 -23.11 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.64 -25.91 18.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.677 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.1 mm-40 -72.01 -61.15 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.28 -32.43 66.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -67.75 -45.21 75.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.8 t -67.72 -56.67 8.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -44.29 -57.86 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 70' ' ' ALA . 5.7 mt -49.25 -55.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -43.0 75.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.95 -6.89 53.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -80.83 137.03 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.09 -166.06 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 94.2 p -116.43 139.33 25.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.65 94.42 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.026 -0.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 83' ' ' LEU . 3.2 tp -107.06 115.68 30.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.4 ttm180 -89.04 126.65 35.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 57' ' ' ILE . 73.5 mt -136.46 120.96 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.5 tt0 -87.31 114.22 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -99.96 141.24 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -96.68 101.08 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.14 105.62 15.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -114.51 157.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 41.6 m -117.69 160.2 21.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 85' ' ' LEU . 13.1 t -115.71 153.43 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -131.73 89.71 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.38 155.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.7 101.08 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.62 -171.62 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.91 5.22 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.958 0.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.33 164.97 35.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.825 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.0 179.33 31.02 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.016 0.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 34.8 m95 -88.32 -53.26 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 107.986 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.96 32.3 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.5 p90 -144.82 149.24 35.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -109.9 -177.28 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.667 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.3 pt -149.91 172.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 8.1 t -144.11 -178.01 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.31 -134.01 45.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.93 -177.78 17.98 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -67.1 -36.75 82.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -60.54 -39.47 88.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 30' ' ' THR . 77.4 m-85 -95.34 11.91 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 51.34 21.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.569 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.8 p -117.29 158.57 44.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 142.92 28.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 54' ' ' ILE . 1.8 mm -66.24 105.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.19 145.56 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.93 135.88 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 38.4 p -98.19 -51.09 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 159.78 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' O ' ' A' ' 48' ' ' LEU . 94.6 t -142.73 112.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -43.14 -29.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.19 -55.1 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -60.19 -72.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER 163.36 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.623 ' O ' HG11 ' A' ' 37' ' ' VAL . 22.7 tp -105.66 129.21 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -127.34 156.01 75.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.62 6.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 122.84 -30.21 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.01 140.97 19.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.7 mt -97.13 117.69 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 32' ' ' ILE . 23.4 mt -74.29 111.21 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -79.63 -46.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 60' ' ' GLN . . . -141.79 178.41 7.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.855 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.4 mt -135.52 103.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.685 ' OD1' HG22 ' A' ' 57' ' ' ILE . 1.2 m120 78.6 3.36 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.04 -3.91 16.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 7.1 tt0 -100.3 130.94 46.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -39.53 147.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -132.55 11.29 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.62 88.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -108.4 59.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.855 ' SD ' HD12 ' A' ' 57' ' ' ILE . 21.9 mtt -117.89 113.05 21.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -58.16 150.01 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.3 t60 -51.23 -22.69 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.2 -28.33 17.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.796 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.8 mm-40 -69.38 -57.28 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -62.72 -29.11 70.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.7 mm-40 -74.41 -39.61 62.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 40.2 t -74.08 -46.71 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.11 -53.47 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.456 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 17.4 mt -56.95 -43.83 81.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -74.14 -12.92 60.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' SER . 5.5 mm-40 -110.97 4.37 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -77.45 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.8 160.7 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 24.8 t -90.98 135.7 28.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 161.82 94.08 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.03 -0.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -98.62 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.629 ' N ' HD22 ' A' ' 81' ' ' LEU . 6.5 mtt180 -86.42 139.68 30.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.704 HD11 HD11 ' A' ' 81' ' ' LEU . 86.5 mt -141.94 118.74 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.3 tt0 -85.86 111.06 19.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 10' ' ' VAL . 12.1 mt -98.7 150.85 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -106.76 100.7 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.13 104.23 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.94 157.3 23.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 46.7 m -114.89 161.93 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 85' ' ' LEU . 9.9 t -122.18 148.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 88.07 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 ' CE3' ' A' ' 18' ' ' TRP . 6.8 t -72.47 156.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.89 97.94 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.48 -168.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.36 4.12 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.011 0.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.831 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.79 165.89 23.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.831 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.09 40.56 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.407 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 33.8 m95 -85.69 -60.0 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.9 37.8 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 5.1 p90 -144.3 152.34 40.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.7 mtt180 -112.93 -177.53 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 21' ' ' ARG . 12.0 pt -153.87 168.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.71 178.91 7.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.47 -138.52 48.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.75 179.19 19.59 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.09 -36.67 82.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.83 -39.32 91.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -95.7 12.05 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 50.45 25.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.6 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.4 p -123.44 159.68 53.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.95 144.24 30.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.33 104.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.58 145.18 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 79.9 t -80.85 138.57 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 81.3 p -102.84 -49.38 3.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 157.07 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' CA ' ' A' ' 49' ' ' ARG . 28.7 t -143.7 103.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 17.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -40.22 -40.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.56 -48.34 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.34 -78.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 171.82 41.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.3 tp -92.57 141.06 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.528 ' CA ' HG21 ' A' ' 37' ' ' VAL . 5.5 mtt-85 -141.46 157.38 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.5 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.52 -27.75 5.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' HD13 ' A' ' 85' ' ' LEU . 23.5 m-20 -55.06 124.08 15.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -80.86 111.94 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 32' ' ' ILE . 10.9 mt -71.05 109.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.87 -49.39 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.68 173.24 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.876 HD12 ' SD ' ' A' ' 65' ' ' MET . 63.0 mt -130.44 101.25 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 t-20 72.98 7.89 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.5 -10.94 12.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.7 OUTLIER -92.73 118.69 31.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.55 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.97 4.38 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.12 70.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 6.3 m-20 -122.19 58.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.7 mtt -119.22 121.91 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.1 mt -68.03 151.0 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.81 -21.94 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.65 -25.98 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.813 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.1 mm-40 -69.63 -57.55 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.8 -40.35 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.2 -47.33 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 18.7 t -66.24 -60.53 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -58.05 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.8 -49.67 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -63.64 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' SER . 7.6 mt-30 -102.34 10.86 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.682 ' OG ' HD13 ' A' ' 81' ' ' LEU . 4.5 t -93.79 134.76 35.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.44 -159.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 11.5 p -129.48 139.97 37.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.01 161.19 95.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.975 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD13 ' OG ' ' A' ' 77' ' ' SER . 2.5 tp -105.25 116.55 32.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -86.38 129.66 34.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 81' ' ' LEU . 77.0 mt -134.96 123.08 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.8 tt0 -91.12 122.58 33.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 10' ' ' VAL . 17.3 mt -110.44 140.08 45.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -98.3 100.94 12.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.61 101.2 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.81 157.62 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.0 m -114.41 161.73 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 85' ' ' LEU . 10.9 t -122.05 148.85 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.74 88.07 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 18' ' ' TRP . 21.8 t -78.54 156.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.78 88.96 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -56.24 -160.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -165.36 4.1 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 -0.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -77.56 165.56 50.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.845 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 170.56 71.51 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CE2' HD22 ' A' ' 81' ' ' LEU . 54.0 m95 -85.22 -61.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' THR . . . 115.2 35.04 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 16.5 p90 -144.84 151.51 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.7 mtt180 -115.46 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.441 HD11 ' HG2' ' A' ' 71' ' ' GLN . 9.2 pt -136.36 174.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 35' ' ' THR . 2.7 t -151.2 -176.97 5.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.47 -137.18 45.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.48 175.09 19.56 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -59.1 -34.22 71.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.18 -46.45 87.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -87.05 9.65 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 54.62 28.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.581 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.3 p -128.78 160.51 62.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 144.53 30.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.52 101.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.3 mt -110.88 150.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 48' ' ' LEU . 99.5 t -87.76 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 23' ' ' SER . 5.5 p -90.05 -50.62 5.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 164.15 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' O ' ' A' ' 48' ' ' LEU . 88.1 t -143.68 96.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLY . 22.4 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -46.0 -37.9 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 -44.95 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.53 -79.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 41.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.885 ' O ' HG11 ' A' ' 37' ' ' VAL . 59.6 tp -91.23 132.45 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -133.33 158.73 74.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.95 9.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.69 -14.63 12.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.6 124.53 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 33' ' ' ILE . 75.5 mt -82.67 113.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.76 111.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -80.13 -49.1 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.44 170.06 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.942 HD12 ' SD ' ' A' ' 65' ' ' MET . 55.5 mt -130.06 101.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.83 7.14 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.59 -13.76 10.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.1 tp60 -91.43 120.87 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.64 147.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -126.53 12.49 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.94 -34.11 75.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -123.16 47.33 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.942 ' SD ' HD12 ' A' ' 57' ' ' ILE . 13.5 mtt -106.75 106.28 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.68 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.3 mt -51.12 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -63.02 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -21.98 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.68 ' HG3' HD12 ' A' ' 66' ' ' LEU . 11.3 mm-40 -70.73 -59.39 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.62 -39.27 76.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG2' HD11 ' A' ' 22' ' ' ILE . 21.3 mm-40 -61.96 -53.03 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -55.71 -58.08 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -56.35 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.9 mt -51.76 -41.82 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -39.08 92.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -99.44 36.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.751 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -109.93 127.73 54.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.05 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 98.6 p -111.62 140.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 161.52 94.67 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.989 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 77' ' ' SER . 5.1 tp -105.53 100.27 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.6 ttm180 -71.0 133.9 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 57' ' ' ILE . 84.3 mt -138.69 119.33 14.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.5 tt0 -90.94 114.6 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.807 HD11 HG21 ' A' ' 10' ' ' VAL . 9.3 mt -101.0 142.17 32.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -95.72 100.83 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.68 106.42 11.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.55 156.31 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 31.8 m -106.86 161.52 14.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.7 p -136.75 146.02 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.43 109.9 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 18' ' ' TRP . 28.2 t -107.22 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -94.83 106.95 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -87.84 -104.44 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.485 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.01 177.12 40.48 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.46 158.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.09 168.89 76.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.934 -2.527 . . . . 0.0 110.982 0.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.633 ' CE3' HG12 ' A' ' 12' ' ' VAL . 58.4 m95 -94.61 -67.92 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 117.56 37.76 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 14.9 p90 -140.55 151.37 44.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -115.83 167.17 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.7 pt -134.51 173.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -146.34 179.52 7.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.33 -131.01 51.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 105.43 169.69 23.79 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' CD ' ' HB3' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -54.25 -38.37 65.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.83 -45.66 85.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -90.89 12.31 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.2 m170 52.69 30.27 8.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.5 p -129.13 159.72 67.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.98 144.13 29.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.757 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.34 102.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 ' HG2' ' A' ' 31' ' ' PRO . 5.8 mt -111.61 145.84 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.0 t -79.06 134.98 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.8 p -97.49 -50.86 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 160.43 31.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.473 HG11 ' O ' ' A' ' 48' ' ' LEU . 74.3 t -143.35 105.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 8.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -44.05 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.47 -51.18 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.0 38.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' HG11 ' A' ' 37' ' ' VAL . 48.8 tp -95.89 127.82 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 157.93 67.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.77 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 117.24 -28.31 7.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.133 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.78 128.94 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.46 HG12 ' CG1' ' A' ' 33' ' ' ILE . 70.5 mt -85.69 113.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 32' ' ' ILE . 40.1 mt -70.13 111.38 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.2 t -79.24 -48.87 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.6 172.38 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.8 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.9 mt -131.81 101.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 71.59 8.61 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 -10.69 13.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.18 119.32 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 0.804 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.71 144.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.78 10.9 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.74 79.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' HB3' ' CD ' ' A' ' 26' ' ' ARG . 69.0 m-80 -123.22 57.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.8 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.7 mtt -113.14 124.89 53.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.0 mt -65.8 151.2 47.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.11 -24.56 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.38 -27.05 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.7 mm-40 -68.48 -54.86 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -64.95 -48.43 74.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' GLN . 25.3 t -60.86 -58.14 9.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.06 -57.02 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.475 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 5.8 mt -53.17 -54.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -59.71 -18.54 43.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' SER . 4.0 mm-40 -114.58 24.46 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.732 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -101.38 123.91 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.13 176.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.6 p -106.73 140.05 20.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.54 94.63 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.01 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.732 HD13 ' OG ' ' A' ' 77' ' ' SER . 4.9 tp -111.0 104.42 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -79.55 128.33 33.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.693 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.6 mt -133.86 122.13 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.3 tt0 -86.09 121.52 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.37 139.17 43.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -97.09 101.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.58 106.11 16.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -106.9 157.67 17.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.6 m -118.99 152.02 37.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 7.2 p -116.63 155.77 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.87 94.91 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.39 155.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.13 99.0 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.92 -164.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.424 1.077 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.98 2.95 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.992 -0.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -93.36 166.26 16.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.851 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.99 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.549 ' CE2' HD22 ' A' ' 81' ' ' LEU . 24.2 m95 -79.58 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.61 38.32 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 13.4 p90 -145.28 145.23 31.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' C ' HG23 ' A' ' 22' ' ' ILE . 17.8 mtt180 -101.5 -177.69 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' C ' ' A' ' 21' ' ' ARG . 7.0 pt -154.49 174.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -151.97 177.22 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.84 -144.84 49.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.96 156.63 12.46 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.5 tpm_? -39.32 -35.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -55.38 -58.24 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -84.72 12.8 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 m170 53.25 29.85 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.2 p -124.71 159.26 59.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.527 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.1 Cg_endo -75.0 143.35 28.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -66.13 101.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mt -109.57 146.47 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 50' ' ' PRO . 72.6 t -83.43 124.09 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -79.61 -56.92 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.15 145.94 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -124.77 129.34 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.366 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -47.25 84.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.43 -38.19 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.55 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.49 29.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' HB1' ' A' ' 43' ' ' ALA . 26.4 tp -97.3 152.7 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -160.95 158.6 24.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.587 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.1 Cg_endo -75.04 129.32 12.2 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.88 -4.52 25.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CG ' HD13 ' A' ' 85' ' ' LEU . 8.6 m-20 -83.71 125.79 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 83.2 mt -82.96 111.36 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.09 109.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.74 -48.58 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.15 173.29 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.2 mt -133.84 101.35 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.431 HD22 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 72.94 11.97 5.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.09 -6.15 27.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -98.39 118.44 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.63 148.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 7.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.19 69.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 3.5 p30 -123.35 60.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 57' ' ' ILE . 28.6 mtt -121.4 120.31 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.5 mt -67.79 153.5 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.01 -21.44 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.56 -27.41 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.787 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -68.37 -56.84 7.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.72 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.25 -42.82 99.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.2 t -69.32 -54.69 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -57.47 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.8 mt -53.52 -44.07 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -66.16 -29.22 69.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.8 mt-30 -109.75 39.88 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.631 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -110.85 126.37 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.86 157.91 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 39.8 t -93.03 143.7 27.2 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.95 161.77 94.17 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 83' ' ' LEU . 3.0 tp -104.49 110.48 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.2 ttm180 -88.5 117.14 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.78 HD11 HD21 ' A' ' 81' ' ' LEU . 47.6 mt -123.07 118.17 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 23.4 tt0 -86.35 114.52 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 52' ' ' ASP . 15.9 mt -101.61 143.68 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.605 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.23 101.24 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -111.64 103.93 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.85 156.8 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.1 m -110.65 161.64 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 83' ' ' LEU . 13.5 p -136.63 155.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 96.56 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG12 ' CE3' ' A' ' 18' ' ' TRP . 25.1 t -90.64 99.29 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -90.61 102.8 15.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -85.39 -105.61 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.482 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 179.02 32.1 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.004 -0.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -38.93 157.45 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 171.74 66.56 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.037 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.695 ' CE3' HG12 ' A' ' 12' ' ' VAL . 59.9 m95 -97.87 -66.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.24 42.77 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 19.9 p90 -145.15 150.29 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -113.37 166.54 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.3 pt -137.18 166.65 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.21 176.86 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.981 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.69 -134.05 49.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 109.31 166.34 20.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 1.3 tpm_? -51.04 -39.91 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 0.735 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -49.51 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -86.23 10.29 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.91 21.2 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.6 p -119.64 159.02 47.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.513 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.03 145.48 31.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.62 102.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.513 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -111.84 145.95 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -79.85 141.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.2 p -106.09 -50.53 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.35 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 48' ' ' LEU . 76.3 t -141.09 101.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ALA . 8.4 tm-20 -38.81 -44.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.85 -50.73 10.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -67.98 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 176.69 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 32.0 tp -95.06 126.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -126.17 158.77 65.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.25 -26.33 8.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.01 129.53 38.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.6 mt -87.17 111.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.91 109.83 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.74 -47.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.91 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.0 mt -128.62 102.5 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 73.54 5.46 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.52 -4.53 13.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -100.08 117.54 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 143.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.98 2.8 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -26.6 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 4.1 p30 -127.26 53.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.9 mtt -116.6 122.11 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -68.45 152.14 45.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -53.18 -21.3 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.06 -27.49 16.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.809 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.4 mm-40 -70.15 -59.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.75 -34.68 69.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -66.82 -46.41 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -64.11 -58.5 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -58.62 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.1 mt -50.33 -49.74 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.46 78.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -97.24 24.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.812 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -99.05 121.52 41.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 172.04 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 29.2 t -101.7 139.97 20.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.01 161.39 94.94 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.959 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.812 HD13 ' OG ' ' A' ' 77' ' ' SER . 7.6 tp -110.08 103.63 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 ttt180 -78.02 133.94 37.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 57' ' ' ILE . 78.6 mt -140.72 120.64 13.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.8 tt0 -87.26 118.46 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.57 143.59 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.82 100.81 11.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -110.75 104.93 13.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.97 156.65 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 92.8 m -111.42 161.48 16.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 47' ' ' ASP . 12.6 p -128.37 155.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.78 93.34 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -76.91 156.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.2 106.54 14.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.8 -167.18 7.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.7 3.72 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.008 -0.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -84.97 164.95 39.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.823 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.5 Cg_endo -74.99 168.36 77.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.057 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.755 ' CZ2' HD22 ' A' ' 81' ' ' LEU . 39.2 m95 -79.14 -49.57 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.36 15.79 7.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.2 p90 -132.89 146.51 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 -177.2 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 ' HG2' ' A' ' 71' ' ' GLN . 17.8 pt -149.28 173.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.596 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -150.83 176.74 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.17 -140.24 46.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 116.48 -173.68 14.84 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.456 HH21 ' CE1' ' A' ' 29' ' ' HIS . 5.1 tpt180 -67.7 -34.81 77.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.43 -53.66 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -82.12 8.23 11.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.456 ' CE1' HH21 ' A' ' 26' ' ' ARG . 12.0 m170 54.68 31.64 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.98 158.62 70.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 144.87 30.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.2 110.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.487 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.1 mt -117.45 148.88 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 50' ' ' PRO . 70.7 t -82.74 126.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.596 HG22 ' HB2' ' A' ' 23' ' ' SER . 29.3 p -84.97 -54.74 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 149.8 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.28 134.56 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB3' HG23 ' A' ' 37' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.64 -51.22 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -46.86 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 10' ' ' VAL . 12.2 m-20 -172.6 35.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 20' ' ' PHE . 16.8 tp -99.27 147.22 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HA ' HG11 ' A' ' 37' ' ' VAL . 2.1 mtt180 -155.15 157.27 31.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.99 122.86 7.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.24 -13.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.41 135.69 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.4 mt -92.39 112.4 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.86 111.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.25 -47.54 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.33 175.82 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.896 HD12 ' SD ' ' A' ' 65' ' ' MET . 53.8 mt -131.05 101.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 70.0 9.07 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.8 -5.32 18.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -97.75 119.09 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 4.6 p -38.7 147.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.04 5.0 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.9 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -127.76 54.22 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.896 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.4 mtt -114.21 117.43 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.766 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -64.12 151.07 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.2 t60 -51.89 -22.42 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.46 -27.25 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.2 mm-40 -70.29 -58.28 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -61.47 -35.76 78.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 22' ' ' ILE . 8.6 mm-40 -62.42 -50.99 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t -65.96 -55.99 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -46.34 -56.77 5.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' SER . 11.5 mt -50.47 -60.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.23 -56.81 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.91 -14.2 20.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.702 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -68.57 125.08 25.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.02 -176.01 4.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 78.3 p -109.7 140.7 22.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.26 95.2 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.949 0.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CZ2' ' A' ' 18' ' ' TRP . 9.4 tp -106.83 111.87 24.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 mtm180 -87.95 134.79 33.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 57' ' ' ILE . 82.9 mt -140.91 118.94 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.8 tt0 -85.96 117.14 24.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -103.13 147.17 27.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -102.4 100.88 11.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.54 105.83 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.32 157.57 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.7 m -113.71 161.82 17.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 85' ' ' LEU . 15.5 t -121.28 154.62 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.21 88.26 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.532 HG11 ' CE3' ' A' ' 18' ' ' TRP . 29.8 t -74.98 140.71 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . -107.95 93.48 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.11 -163.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.38 2.77 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.002 -0.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -85.64 165.94 32.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.844 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 178.6 33.98 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.021 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CE3' HG11 ' A' ' 12' ' ' VAL . 40.2 m95 -87.19 -61.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 112.92 36.95 1.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.452 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 11.0 p90 -144.62 151.04 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -115.89 167.83 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.0 pt -136.19 174.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.587 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.75 -179.42 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.53 -133.27 49.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.99 177.03 20.53 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -59.87 -54.84 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -80.1 5.11 15.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.8 m170 60.74 30.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 p -128.25 160.23 63.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 144.01 29.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.745 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.7 104.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -113.72 148.46 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 48' ' ' LEU . 87.2 t -82.75 131.07 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.3 p -91.6 -50.94 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.07 161.84 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 48' ' ' LEU . 79.2 t -143.56 102.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 43.6 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -45.52 46.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.53 -37.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.65 -96.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.03 32.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 34' ' ' VAL . 43.6 tp -85.39 128.4 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.41 158.75 68.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.39 8.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 -26.56 9.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.3 121.43 8.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 33' ' ' ILE . 84.2 mt -80.21 109.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.12 111.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.96 -48.18 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.32 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.974 HD12 ' SD ' ' A' ' 65' ' ' MET . 51.4 mt -129.04 101.6 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 m-20 70.75 7.73 6.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.93 -13.1 10.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -89.79 118.3 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -39.98 140.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.03 0.07 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -41.22 76.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -114.43 48.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.974 ' SD ' HD12 ' A' ' 57' ' ' ILE . 10.5 mtt -108.89 125.91 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -69.77 155.58 40.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.84 -21.16 27.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.648 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.94 -24.34 17.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.6 mm-40 -70.61 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -58.65 -26.99 64.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -73.99 -43.96 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 t -67.03 -55.36 14.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.41 -57.24 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -51.67 -52.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -61.95 -19.17 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -117.05 32.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.65 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -108.07 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.22 171.15 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 5.5 t -106.9 139.09 20.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.99 161.2 95.34 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.989 0.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.65 HD13 ' CB ' ' A' ' 77' ' ' SER . 0.8 OUTLIER -106.78 110.19 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.33 139.38 38.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 98.9 mt -142.14 116.5 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.5 tt0 -87.16 109.8 19.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 10' ' ' VAL . 17.6 mt -95.61 146.98 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.632 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.28 101.23 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.97 105.6 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.52 156.95 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 65.7 m -110.72 161.91 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.817 HG21 HD11 ' A' ' 85' ' ' LEU . 10.2 t -122.72 155.74 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.33 88.46 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 12.7 t -77.7 132.72 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . -104.52 95.42 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.76 -161.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.4 2.47 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.035 -0.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.97 165.89 20.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.837 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.05 167.18 81.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.968 -2.514 . . . . 0.0 110.981 0.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 27.4 m95 -76.94 -65.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.93 36.36 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.7 p90 -144.33 150.86 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -114.49 170.29 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -139.63 167.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.3 -178.4 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' CA ' ' OG1' ' A' ' 30' ' ' THR . . . 55.79 -134.38 49.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.93 162.14 20.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -49.35 -34.15 15.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.83 -50.84 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -85.6 9.25 16.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 56.67 32.92 21.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' CA ' ' A' ' 24' ' ' GLY . 3.2 p -131.78 159.49 71.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.98 142.91 28.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mm -66.67 104.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -115.11 146.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 48' ' ' LEU . 92.5 t -81.69 135.1 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.3 p -101.13 -48.74 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -122.36 152.81 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -141.74 97.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.535 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -41.83 -50.83 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.53 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.23 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.81 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.724 HD11 HG21 ' A' ' 34' ' ' VAL . 59.5 tp -90.74 140.91 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.38 156.85 74.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 121.64 6.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.89 -19.1 11.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -61.78 125.17 22.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -81.33 110.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.1 108.89 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.5 t -76.53 -48.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.53 10.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.954 HD12 ' SD ' ' A' ' 65' ' ' MET . 45.6 mt -131.55 101.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.3 7.88 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.52 -11.37 12.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -92.35 120.29 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.6 m -39.22 141.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.5 4.16 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.53 -34.2 70.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -122.87 58.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.954 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.8 mtt -116.36 123.54 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.72 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -68.92 150.23 47.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -51.01 -22.74 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.45 -29.0 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.72 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.8 mm-40 -69.69 -55.69 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -62.13 -29.09 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -73.54 -44.61 57.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLN . 20.3 t -64.62 -55.28 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -58.95 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -49.15 -51.32 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -28.19 69.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.4 mt-30 -107.04 31.93 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -107.87 126.29 52.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.39 -178.11 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 74.2 p -117.06 140.65 27.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.0 Cg_endo -75.05 161.37 94.95 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.958 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.3 tp -104.1 110.38 22.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -80.7 135.68 36.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 79.8 mt -137.73 116.55 12.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 17.7 tt0 -86.77 109.92 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 10' ' ' VAL . 12.9 mt -97.25 145.59 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.66 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.38 100.76 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -114.54 105.81 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -104.58 157.21 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 94.7 m -116.11 158.35 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 83' ' ' LEU . 3.3 p -131.53 148.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.49 93.08 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.583 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 46.7 t -72.99 136.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.18 109.7 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -70.08 -166.21 5.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.99 -164.03 3.42 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.826 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -87.64 166.2 26.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.826 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.96 177.51 38.72 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.041 -0.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 15.5 m95 -87.01 -59.42 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 107.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.28 39.95 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 2.1 p90 -144.42 152.46 40.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -115.11 -179.18 3.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 8.2 pt -148.23 172.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -142.06 177.91 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.37 -134.83 52.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.1 161.11 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -51.05 -34.6 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.13 -45.62 93.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -86.64 3.41 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m170 57.15 39.68 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -136.33 161.27 63.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 138.67 23.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 22' ' ' ILE . 2.5 mt -69.65 107.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.6 mt -115.22 144.88 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HD11 ' A' ' 48' ' ' LEU . 93.4 t -75.29 133.13 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -97.51 -48.97 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 154.42 45.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG2' HG11 ' A' ' 34' ' ' VAL . 58.6 t -138.59 107.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.345 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -42.26 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.1 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -67.54 -88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 178.45 38.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.65 HD11 HG21 ' A' ' 34' ' ' VAL . 57.7 tp -96.14 139.23 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -138.99 158.73 69.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.16 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 114.65 -23.64 11.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 68.3 m-20 -58.44 127.93 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 31' ' ' PRO . 61.1 mt -84.28 115.71 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.75 115.34 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -87.78 -46.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.44 174.31 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.86 HD12 ' SD ' ' A' ' 65' ' ' MET . 60.7 mt -133.97 101.74 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 77' ' ' SER . 4.0 t-20 73.2 12.63 4.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.71 -10.48 27.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -93.75 120.71 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -39.38 139.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.983 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.19 7.66 11.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.35 -36.63 84.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -112.15 41.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.86 ' SD ' HD12 ' A' ' 57' ' ' ILE . 26.4 mtt -109.46 112.54 24.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -60.92 157.02 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 19.9 t60 -57.27 -21.35 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.32 -23.46 18.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.635 ' HG3' HD12 ' A' ' 66' ' ' LEU . 28.6 mt-10 -72.65 -64.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -57.35 -43.64 83.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 4.6 mm-40 -46.28 -52.76 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LYS . 14.4 t -73.4 -54.3 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.3 mmtt -38.45 -62.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 4.3 mt -42.57 -58.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' LYS . 4.2 mt-30 -85.72 -4.24 59.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.797 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.11 126.16 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 160.72 31.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.4 p -90.96 135.66 28.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.04 161.94 93.82 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.993 0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -101.86 105.8 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.627 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 ttm180 -80.91 135.6 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 81' ' ' LEU . 61.2 mt -137.03 120.68 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.6 tt0 -86.18 115.57 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mt -103.31 146.06 29.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.567 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.85 101.42 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -107.92 104.96 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.021 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.19 157.72 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 82' ' ' ARG . 5.7 m -114.46 158.0 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.24 133.22 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.59 110.34 22.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -97.68 115.51 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 120.61 13.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -88.59 -165.04 40.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.97 -162.55 2.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.96 -0.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -80.67 167.26 33.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.885 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -74.98 179.03 32.08 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.034 -0.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.88 ' CE2' HD22 ' A' ' 81' ' ' LEU . 33.5 m95 -91.64 -56.74 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.59 34.47 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.9 p90 -144.6 150.65 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 22' ' ' ILE . 63.8 mtt180 -107.7 -177.78 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' HG2' ' A' ' 71' ' ' GLN . 10.6 pt -153.04 169.42 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -145.49 -178.51 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.6 -138.24 46.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.45 178.46 17.56 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -68.41 -17.87 64.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.85 -45.75 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.25 10.93 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 59.51 24.21 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -122.34 158.45 55.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.567 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.97 149.03 36.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -70.3 100.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.567 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.8 mt -109.62 150.2 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -84.52 138.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' SER . 21.5 p -102.19 -51.38 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 153.84 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 48' ' ' LEU . 78.0 t -137.39 110.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 24.3 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -40.0 -53.7 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.35 -48.42 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.97 35.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.5 tp -101.0 129.35 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -131.27 163.16 51.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.91 11.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -36.92 3.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -45.83 129.26 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.5 mt -88.06 111.82 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.18 107.28 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -78.2 -57.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.43 170.62 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.843 HD12 ' SD ' ' A' ' 65' ' ' MET . 65.2 mt -131.81 103.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 m-20 69.36 20.43 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.66 -7.35 53.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.67 117.94 31.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -39.86 146.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 55' ' ' VAL . . . -134.43 13.23 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -31.02 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -121.42 50.4 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.843 ' SD ' HD12 ' A' ' 57' ' ' ILE . 15.7 mtt -108.8 117.61 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.767 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -63.41 159.32 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 18.9 t60 -58.71 -23.09 59.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.77 -23.25 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.767 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -72.02 -60.86 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.99 83.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.672 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.0 mm100 -60.97 -43.22 99.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -72.33 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.3 mttp -57.37 -56.68 18.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' A' ' 18' ' ' TRP . 6.3 mt -50.37 -45.33 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.34 -46.69 75.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -95.13 33.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.754 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -95.6 127.38 41.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 143.74 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 1.2 p -88.83 149.34 43.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -75.02 162.05 93.61 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.005 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.88 HD22 ' CE2' ' A' ' 18' ' ' TRP . 18.9 tp -94.59 123.04 37.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.603 ' C ' HD13 ' A' ' 83' ' ' LEU . 4.6 ttm180 -117.46 96.89 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.06 124.45 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.2 tt0 -85.65 105.44 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 8' ' ' LEU . 4.5 mt -88.63 146.73 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.717 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -102.38 100.57 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -118.44 106.36 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.64 157.0 24.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 81.8 m -110.43 161.31 15.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LEU . 4.6 p -136.42 150.87 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 98.5 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.3 t -96.62 106.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -95.39 105.27 17.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -84.93 -105.48 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.04 176.82 41.81 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.951 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.44 157.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 169.44 74.53 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.967 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.753 ' CE2' HD22 ' A' ' 81' ' ' LEU . 62.5 m95 -94.82 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.54 0.82 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 12.3 p90 -144.47 146.95 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -106.08 177.53 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 32' ' ' ILE . 9.4 pt -147.58 175.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.52 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.61 -179.54 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.6 47.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.94 157.53 14.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.37 -39.37 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.07 -55.04 31.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 80.5 m-85 -83.64 13.08 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 m170 53.09 34.07 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.0 p -133.33 159.73 71.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 144.27 29.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG23 HD12 ' A' ' 22' ' ' ILE . 2.8 mm -66.43 105.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.8 mt -112.43 145.98 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.4 t -82.8 125.53 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.8 p -81.97 -56.29 4.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -150.04 145.63 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.512 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -125.54 123.2 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.75 -38.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.95 -53.81 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -170.39 33.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 27.1 tp -93.37 143.72 26.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.88 158.54 33.92 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.3 Cg_endo -75.0 129.61 12.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.41 -7.58 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 37.2 m-20 -81.61 131.03 35.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 60.4 mt -87.11 111.03 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.93 109.17 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.66 -48.32 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.92 169.14 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.99 HD12 ' SD ' ' A' ' 65' ' ' MET . 78.8 mt -131.37 101.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 72.14 12.06 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.27 -11.14 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -94.07 117.39 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.91 144.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.18 9.6 11.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -37.02 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -120.94 56.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.99 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.4 mtt -115.49 121.53 42.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.789 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -67.59 150.86 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 11.1 t60 -51.72 -22.1 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.34 -28.5 16.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.789 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.9 mm-40 -69.18 -56.17 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.76 77.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 14.6 mm-40 -66.32 -43.01 87.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -55.8 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.15 -57.36 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.29 -43.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -43.63 95.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -89.5 19.99 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.766 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -93.91 122.86 36.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.51 168.06 15.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 76.4 p -96.79 140.56 22.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.0 161.73 94.27 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.015 -0.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 ' CB ' ' A' ' 77' ' ' SER . 9.7 tp -111.05 106.26 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -81.22 125.63 30.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.668 ' O ' HG12 ' A' ' 10' ' ' VAL . 41.0 mt -131.63 117.45 18.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 55' ' ' VAL . 7.5 tt0 -86.36 115.27 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.62 144.29 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.608 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.2 t0 -99.34 101.14 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -108.41 103.55 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.59 157.31 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 26.1 m -119.8 159.57 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.998 HG11 HD23 ' A' ' 48' ' ' LEU . 2.4 p -129.65 153.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.01 96.72 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 18' ' ' TRP . 25.8 t -81.31 123.88 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.37 116.59 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -73.69 -167.51 14.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.02 -163.14 3.02 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.994 -0.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -83.55 166.41 34.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 177.82 37.37 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.988 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m95 -86.81 -51.71 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.06 33.5 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.6 p90 -144.61 149.42 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.2 mtm180 -112.44 -177.3 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.1 pt -148.02 165.71 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -138.55 -177.35 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.46 -134.26 38.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 110.18 159.11 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HD3' ' CA ' ' A' ' 64' ' ' ASN . 1.9 tpt180 -44.33 -39.74 4.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.29 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 30' ' ' THR . 38.0 m-85 -89.65 8.6 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.09 37.63 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 28' ' ' PHE . 9.9 p -139.46 161.96 54.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.42 27.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 54' ' ' ILE . 3.2 mm -66.45 111.79 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' HG12 ' A' ' 53' ' ' ILE . 9.7 mt -120.45 145.72 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HD11 ' A' ' 48' ' ' LEU . 54.5 t -79.75 140.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.0 OUTLIER -113.73 -45.03 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.21 140.84 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CA ' ' A' ' 49' ' ' ARG . 55.9 t -142.61 105.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.452 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -42.96 -54.54 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.72 -42.69 35.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -63.05 -57.24 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER 157.74 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.998 HD23 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -40.75 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.747 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -168.48 156.81 7.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.75 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . 107.34 -20.42 32.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.36 128.35 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 31' ' ' PRO . 88.8 mt -81.12 110.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.733 HD12 HG22 ' A' ' 32' ' ' ILE . 52.7 mt -69.42 104.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.6 t -71.38 -50.55 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.24 173.15 11.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' SD ' ' A' ' 65' ' ' MET . 87.9 mt -131.53 101.22 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 74.02 6.56 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 -12.95 10.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.438 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.8 tp60 -90.12 123.2 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -41.97 147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.33 -1.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -40.71 71.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' CA ' ' HD3' ' A' ' 26' ' ' ARG . 5.2 p30 -117.89 60.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.92 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.3 mtt -120.48 124.85 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -71.54 152.54 42.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -53.72 -21.33 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 -27.76 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.807 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.2 mm-40 -68.74 -56.94 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -56.62 -44.36 81.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.4 t -70.46 -58.57 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -58.31 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 18' ' ' TRP . 14.5 mt -52.35 -34.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' SER . 12.2 ttt180 -72.67 -43.57 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -93.01 23.16 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.526 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -89.67 134.28 34.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.75 175.4 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 79.3 p -113.59 141.35 25.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 162.16 93.4 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.001 0.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 77' ' ' SER . 4.2 tp -96.11 117.98 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 4.1 ttm180 -94.24 117.19 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.2 mt -119.45 118.34 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.4 tt0 -85.81 116.8 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 48' ' ' LEU . 12.9 mt -105.18 138.55 41.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.582 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -100.37 100.64 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.94 105.83 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.65 157.21 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 97.9 m -115.15 161.12 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 83' ' ' LEU . 11.9 p -130.13 158.33 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.21 98.24 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -86.83 156.3 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.76 106.58 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -66.53 -165.25 1.97 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.1 Cg_endo -75.04 -163.5 3.18 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.836 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.88 165.46 31.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.836 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.99 168.54 77.12 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 46.9 m95 -79.5 -54.09 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.86 -0.95 10.01 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 22.5 p90 -115.54 146.77 41.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -109.49 -177.18 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.6 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.2 pt -150.08 176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -152.02 179.42 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.99 -139.71 47.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.54 162.7 15.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.438 HH21 ' CE1' ' A' ' 29' ' ' HIS . 1.5 tpt180 -46.6 -39.52 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 8.4 p-10 -55.95 -52.49 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -83.08 9.65 9.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.438 ' CE1' HH21 ' A' ' 26' ' ' ARG . 13.8 m170 55.85 25.95 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.8 p -126.25 158.89 65.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 149.62 36.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -70.15 108.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -117.75 144.78 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.3 t -80.33 126.52 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 23' ' ' SER . 7.7 p -83.45 -55.65 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -153.29 150.46 28.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.18 132.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -37.96 -48.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.32 -55.18 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 10' ' ' VAL . . . -55.01 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.49 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 85' ' ' LEU . 33.8 tp -103.75 150.31 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -155.87 156.97 31.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -7.88 13.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' CB ' HD13 ' A' ' 85' ' ' LEU . 8.7 m-20 -81.46 138.63 35.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 33' ' ' ILE . 78.9 mt -93.01 118.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 32' ' ' ILE . 32.0 mt -75.51 118.35 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -89.5 -45.96 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.38 171.15 14.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 73.1 mt -132.86 101.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.447 ' ND2' ' OG ' ' A' ' 77' ' ' SER . 0.7 OUTLIER 73.04 9.63 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.4 -10.34 22.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 120.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.4 m -40.0 138.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.36 19.12 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -51.32 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -108.75 50.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 5.9 mtt -99.65 122.45 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.758 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -65.61 153.15 42.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 21.3 t60 -54.39 -21.9 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.18 -25.87 17.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.758 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.0 mm-40 -69.95 -59.05 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.98 -32.23 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.6 ' HG2' HD11 ' A' ' 22' ' ' ILE . 10.1 mm-40 -69.76 -45.65 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -59.3 -53.69 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mt -53.91 -50.42 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -49.57 76.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.72 -7.55 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.667 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -71.22 121.65 18.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.36 173.73 8.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 30.6 t -101.36 139.56 20.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.97 161.24 95.24 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.008 -0.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -106.64 114.48 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.631 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 mtt180 -93.24 144.29 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.2 mt -142.55 117.74 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' VAL . 7.7 tt0 -85.4 114.71 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 48' ' ' LEU . 9.8 mt -102.81 152.35 21.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -105.3 101.05 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.578 HD21 HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -103.64 157.54 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 62.6 m -115.17 160.97 19.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 85' ' ' LEU . 22.0 t -126.49 155.45 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.95 94.45 3.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.1 t -86.18 147.01 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.32 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.32 -167.38 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.71 3.72 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.027 -0.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.41 164.52 26.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -75.0 177.97 36.72 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.026 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.707 ' CE2' HD22 ' A' ' 81' ' ' LEU . 32.1 m95 -86.12 -50.7 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.36 32.13 2.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -144.42 150.55 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 0.722 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -113.5 -177.24 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 22.6 pt -144.64 169.86 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.617 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.68 -178.19 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.77 -133.5 26.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.72 155.33 10.67 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -46.08 -33.3 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.37 -48.52 78.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -88.58 12.12 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.19 34.06 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.02 159.52 72.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.96 149.55 37.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -74.37 110.14 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' C ' ' A' ' 51' ' ' GLY . 4.2 mt -118.42 143.2 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.936 HG21 HD11 ' A' ' 48' ' ' LEU . 60.8 t -75.2 138.02 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.4 p -104.87 -47.86 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 147.19 46.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.608 HG21 ' CA ' ' A' ' 49' ' ' ARG . 88.0 t -143.73 110.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 110.362 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.15 -47.94 6.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.23 -44.12 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -86.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.16 37.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.936 HD11 HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -94.71 164.01 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.827 ' H ' HD13 ' A' ' 48' ' ' LEU . 6.6 mtt180 -173.92 155.55 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.31 13.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 109.03 -18.81 30.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.7 125.37 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.796 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.8 mt -79.64 110.86 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.571 HD12 HG22 ' A' ' 32' ' ' ILE . 48.1 mt -72.42 105.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.723 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -75.5 -47.97 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.56 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.72 HD12 ' SD ' ' A' ' 65' ' ' MET . 47.8 mt -128.58 101.13 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.8 t-20 72.81 5.81 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.0 -13.14 10.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.9 tp60 -91.3 119.93 31.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -40.74 140.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.56 10.66 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.23 99.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -115.35 53.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.72 ' SD ' HD12 ' A' ' 57' ' ' ILE . 12.4 mtt -109.1 125.88 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -72.51 150.5 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -53.27 -20.88 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.86 17.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.2 mm-40 -70.19 -58.97 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.75 93.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -46.71 -49.02 20.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' LYS . 42.2 t -75.96 -53.98 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' SER . 9.5 mmtm -39.97 -65.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 18' ' ' TRP . 9.1 mt -39.72 -55.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -50.64 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.32 -8.99 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -72.96 131.58 42.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.24 -179.46 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 38.1 t -108.57 139.08 20.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 161.47 94.78 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.004 -0.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 ' CE2' ' A' ' 18' ' ' TRP . 5.3 tp -102.77 101.92 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 1.4 ttm180 -75.46 133.91 40.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -131.74 116.37 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.1 tt0 -90.16 102.94 15.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 10' ' ' VAL . 5.7 mt -92.89 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.723 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.83 100.67 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.94 102.66 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -78.51 170.94 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -166.7 152.44 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.89 -85.8 1.9 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.082 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 77.0 -62.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 58.78 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.96 125.47 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.65 156.76 27.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 47.6 m -109.33 161.62 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 83' ' ' LEU . 12.4 p -136.05 155.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.81 91.71 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.28 155.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' ' HD2' ' A' ' 42' ' ' LYS . . . -93.02 166.46 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.55 -174.16 20.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.84 5.99 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.041 0.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -63.27 164.21 15.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.786 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.39 39.23 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.987 -2.506 . . . . 0.0 110.993 -0.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.536 ' HE1' HG22 ' A' ' 74' ' ' ILE . 53.9 m95 -91.06 -51.65 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 28.11 4.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 10.0 p90 -144.61 153.44 41.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -113.64 172.78 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.4 pt -143.7 172.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -150.9 176.34 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.86 -142.0 44.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 110.51 162.99 18.66 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 3.1 tpm_? -45.71 -33.37 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.62 -50.92 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.55 6.31 41.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 m170 58.47 30.05 19.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.23 160.94 57.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.02 143.74 29.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.5 99.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.5 mt -109.3 146.75 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.0 134.87 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' HB2' ' A' ' 23' ' ' SER . 6.7 p -96.26 -51.7 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 161.4 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.5 97.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -48.68 121.6 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.44 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.49 161.74 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 41.01 31.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.8 -151.41 24.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.743 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 7.0 mmtm -88.54 -58.91 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -43.31 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -43.23 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -48.41 -51.96 24.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 173.86 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.763 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.2 tp -98.59 130.55 45.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.03 161.21 63.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.26 9.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.75 -30.12 6.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 11.5 m-20 -49.62 127.32 15.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.766 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 33' ' ' ILE . 87.4 mt -87.31 112.39 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.01 110.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.89 -48.14 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.49 177.56 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.946 HD12 ' SD ' ' A' ' 65' ' ' MET . 50.6 mt -132.96 101.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 71.82 6.5 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.67 5.56 13.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 57' ' ' ILE . 1.7 tt0 -109.84 117.57 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -38.77 140.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.25 10.15 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.92 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -116.94 63.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HD12 ' A' ' 57' ' ' ILE . 27.4 mtt -123.06 123.03 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.679 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.9 mt -68.58 150.94 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -52.58 -23.08 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.41 -27.13 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.679 ' HG3' HD12 ' A' ' 66' ' ' LEU . 6.3 mm-40 -69.46 -58.71 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.517 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.07 -39.4 74.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.09 -62.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -55.21 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.536 HG22 ' HE1' ' A' ' 18' ' ' TRP . 42.6 mt -55.14 -62.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -43.45 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.68 36.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.594 ' CB ' HD13 ' A' ' 81' ' ' LEU . 3.3 t -115.24 117.65 31.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.17 168.38 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 3.7 p -101.23 141.63 23.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 161.58 94.56 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.02 -2.491 . . . . 0.0 111.026 -0.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.1 tp -105.7 108.06 19.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 mtm180 -77.24 133.02 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 57' ' ' ILE . 70.4 mt -140.64 119.18 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 tt0 -86.15 114.94 23.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.71 141.75 34.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.589 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -97.43 101.4 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -109.03 104.65 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -130.75 79.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.1 m -111.96 153.75 26.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -123.7 156.86 18.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.08 30.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.51 155.23 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.55 144.69 18.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -122.08 118.77 29.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -135.83 134.64 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.57 157.79 21.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 p -53.43 160.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -72.35 150.27 43.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.35 122.35 0.63 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.3 156.46 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 84.8 m -107.15 161.69 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.2 p -137.25 149.56 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.21 88.99 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.64 150.23 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . . . -90.96 164.61 13.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -148.34 -168.8 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 -166.15 4.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.005 -0.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -66.53 164.39 32.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.814 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.94 173.92 55.31 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.054 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -87.44 -63.49 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 113.01 36.26 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' ' 74' ' ' ILE . 9.6 p90 -144.94 151.8 39.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 0.803 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 34' ' ' VAL . 43.7 mtt-85 -114.74 171.58 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.6 pt -142.81 169.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -146.12 178.6 8.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.29 -140.37 48.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.51 159.51 15.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -43.16 -38.6 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -54.57 -54.22 44.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -84.72 6.53 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 58.76 31.49 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -129.04 159.82 66.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 143.77 29.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.74 106.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -116.45 145.14 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ARG . 90.4 t -80.58 135.55 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 43.7 p -99.36 -48.42 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 158.15 33.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.9 t -142.57 102.66 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 53.2 m -48.53 137.68 11.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -85.96 141.32 29.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 59.75 29.12 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.624 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -106.28 -171.38 23.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' CG ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -70.55 -46.62 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -55.64 -56.79 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -42.97 99.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -46.98 -49.42 20.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 17.8 t0 -172.63 34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.481 HD23 ' HB1' ' A' ' 43' ' ' ALA . 28.5 tp -90.76 125.44 35.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.64 158.74 63.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.43 -17.11 12.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.41 124.01 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 ' CG1' ' A' ' 33' ' ' ILE . 86.7 mt -81.59 112.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.93 110.78 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.32 -47.76 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.67 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.809 HD12 ' SD ' ' A' ' 65' ' ' MET . 72.4 mt -131.39 102.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.5 t-20 71.91 8.09 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.91 1.88 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -105.1 117.55 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.2 m -38.74 142.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.78 2.83 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -34.93 66.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -121.82 62.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.809 ' SD ' HD12 ' A' ' 57' ' ' ILE . 25.5 mtt -121.53 130.17 53.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt -71.99 149.98 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.25 -21.31 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -24.11 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.8 mm-40 -71.69 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.571 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -53.19 -35.63 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -63.94 -46.47 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.8 t -67.46 -62.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.08 -57.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.664 HG21 ' HZ ' ' A' ' 20' ' ' PHE . 66.4 mt -49.76 -65.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -57.98 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.502 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -53.5 141.78 24.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.88 -170.77 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 2.1 p -112.87 137.22 21.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 161.34 95.02 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.957 -2.518 . . . . 0.0 110.967 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 83' ' ' LEU . 2.3 tp -105.01 106.93 17.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.0 mtm105 -78.77 128.36 33.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 57' ' ' ILE . 83.2 mt -138.74 121.05 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.6 tt0 -86.05 116.7 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.62 143.33 32.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.597 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.19 100.96 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -108.44 102.52 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -128.62 87.02 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.6 m -135.86 152.72 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.22 158.14 27.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -118.51 155.75 30.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 m -39.45 128.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -121.17 -58.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.011 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.48 158.28 21.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -175.32 13.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.44 134.21 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -173.88 161.06 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.65 128.79 5.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.05 157.08 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 56.2 m -113.74 156.54 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 82' ' ' ARG . 11.2 p -129.68 155.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.65 102.32 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.52 110.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.5 109.11 6.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -60.15 -162.64 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.96 -162.06 2.67 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.98 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -96.22 166.04 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.82 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.02 175.83 46.15 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.935 -2.527 . . . . 0.0 111.03 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 20.2 m95 -83.78 -55.22 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.41 35.75 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 6.9 p90 -144.72 146.48 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.09 -177.37 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.766 HD11 ' HG2' ' A' ' 71' ' ' GLN . 20.8 pt -147.7 167.39 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.515 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.55 178.87 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.99 -132.96 45.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.55 -178.78 18.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 64' ' ' ASN . 4.0 tpt180 -67.04 -36.17 81.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -40.45 96.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -88.47 4.48 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.17 33.23 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p -134.85 161.61 62.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.12 27.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 54' ' ' ILE . 2.8 mm -66.24 108.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.7 mt -118.72 145.07 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.7 t -78.95 140.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 23' ' ' SER . 23.1 p -106.02 -50.29 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.46 155.47 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.589 HG11 ' O ' ' A' ' 48' ' ' LEU . 73.7 t -143.61 99.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -47.78 133.34 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 41' ' ' GLY . 3.5 tt0 -82.0 154.79 25.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 42.53 28.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 39' ' ' GLU . . . -99.78 -147.11 21.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 16.1 mmtm -86.49 -55.8 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -51.63 -70.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -44.34 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -42.32 -48.64 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -73.12 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.72 35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' HG11 ' A' ' 37' ' ' VAL . 26.4 tp -86.88 126.66 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 156.85 74.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.495 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 121.28 -25.48 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -55.9 128.83 37.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 31' ' ' PRO . 69.1 mt -84.67 114.77 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 32' ' ' ILE . 22.0 mt -75.06 115.02 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.2 t -85.84 -45.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.6 175.08 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.938 HD12 ' SD ' ' A' ' 65' ' ' MET . 67.2 mt -135.02 101.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 2.1 t-20 79.08 0.09 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.07 -9.6 8.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -96.08 128.89 43.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 150.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -130.99 12.28 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -39.4 85.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 3.9 m-20 -114.68 46.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.938 ' SD ' HD12 ' A' ' 57' ' ' ILE . 9.0 mtt -105.21 122.75 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -66.67 152.03 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -53.46 -22.21 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.1 -25.93 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.1 mm-40 -69.16 -56.83 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -62.6 -31.66 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 22' ' ' ILE . 11.2 mm-40 -72.43 -38.65 68.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 t -78.39 -42.75 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -59.64 -56.16 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.472 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 16.1 mt -50.16 -53.33 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -52.92 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.87 -12.48 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.877 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -64.3 119.87 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 170.53 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 88.2 p -97.2 138.99 21.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.24 95.23 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.016 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.877 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -105.99 113.44 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.646 ' N ' HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.19 141.01 28.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 81' ' ' LEU . 90.1 mt -141.07 119.26 12.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.8 tt0 -85.76 109.05 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 52' ' ' ASP . 8.4 mt -96.74 148.39 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.643 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -103.14 101.2 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -112.8 102.35 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 t -131.15 85.36 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.84 124.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -154.4 175.55 32.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.83 37.3 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.66 165.45 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 p -67.67 161.71 25.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -85.46 125.48 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -64.34 94.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.03 63.57 3.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.6 -58.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -136.62 105.4 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.56 124.52 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -113.89 156.57 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.505 HG21 ' NE ' ' A' ' 82' ' ' ARG . 93.4 m -108.83 159.52 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 83' ' ' LEU . 5.7 p -130.09 148.36 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.42 88.6 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 73.0 t -66.55 147.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -112.7 96.59 6.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -57.09 -160.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 -161.81 2.59 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.022 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -88.92 164.3 31.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.93 175.72 46.54 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.023 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 31.9 m95 -83.78 -52.15 6.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.37 29.96 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.9 p90 -137.75 148.49 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -113.14 174.89 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -143.07 170.92 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -144.16 -178.7 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.79 -139.13 46.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.26 159.85 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -47.45 -31.63 4.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -92.87 8.33 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m170 59.15 29.03 18.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -127.54 160.08 62.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.01 144.76 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -68.62 101.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.9 mt -110.78 146.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.18 137.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 76.7 p -99.92 -52.45 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 159.19 30.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.81 97.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 m -47.77 136.34 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -83.62 136.87 34.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 61.86 44.05 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.747 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -116.92 -161.88 12.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 2.0 mptp? -78.75 -38.15 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -65.27 -71.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -42.76 -48.34 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -70.82 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.4 34.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.537 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -89.85 132.49 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -134.84 159.41 72.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.37 -25.14 9.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD2' HD13 ' A' ' 85' ' ' LEU . 1.8 m-20 -55.25 126.49 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.796 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 93.0 mt -84.05 110.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.17 110.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.26 -47.75 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.13 172.83 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.902 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -131.82 101.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 t-20 71.59 8.36 6.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 -11.29 12.79 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.473 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -92.75 120.11 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -39.94 145.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 57' ' ' ILE . . . -122.03 6.27 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -42.85 96.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -114.75 55.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.902 ' SD ' HD12 ' A' ' 57' ' ' ILE . 14.9 mtt -114.43 123.55 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -69.48 153.23 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.02 -22.97 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.22 -26.94 18.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.788 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 mm-40 -69.94 -58.09 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -59.58 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -68.49 -47.69 66.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.9 t -63.36 -57.42 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -46.93 -58.67 3.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 70' ' ' ALA . 7.0 mt -47.73 -56.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -52.61 -54.88 27.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.73 -7.93 31.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -75.8 134.55 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.96 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.79 -171.55 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 23.0 t -111.46 139.72 22.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 160.96 95.78 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.016 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD13 ' OG ' ' A' ' 77' ' ' SER . 5.7 tp -109.17 107.79 18.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.505 ' NE ' HG21 ' A' ' 9' ' ' THR . 3.0 ttp180 -80.65 130.71 35.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.733 ' O ' HG12 ' A' ' 10' ' ' VAL . 88.3 mt -139.68 118.84 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.8 tt0 -86.16 116.37 24.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.452 HD13 ' OD2' ' A' ' 52' ' ' ASP . 13.5 mt -103.28 143.57 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -99.11 101.14 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -108.88 104.21 13.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 t -118.21 81.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.5 m -78.56 170.97 15.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.03 159.02 29.04 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.06 42.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -161.67 136.87 7.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -141.17 126.51 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.28 129.82 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -162.37 93.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 75.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -94.48 166.37 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.02 169.93 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.03 123.78 4.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.28 157.02 25.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 83.4 m -110.18 156.96 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 83' ' ' LEU . 2.6 p -124.41 146.44 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.25 89.54 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 61.1 t -66.72 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -110.83 94.33 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -59.35 -159.88 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -162.07 2.67 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.52 164.46 29.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.0 168.0 78.75 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.2 m95 -77.31 -61.09 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 114.95 30.07 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -135.26 149.03 49.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -110.93 175.74 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 pt -144.85 170.01 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -143.75 179.36 7.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.06 -146.54 35.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 118.64 162.77 12.27 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.2 tpm_? -46.02 -36.54 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.95 89.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' GLY . 98.0 m-85 -94.81 0.19 54.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.4 m170 63.92 19.4 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -117.28 161.08 34.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 141.98 27.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.22 108.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.7 mt -117.97 146.01 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 89.1 t -79.41 135.9 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 20.0 p -99.96 -50.5 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.82 33.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -143.11 101.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 14.1 m -47.48 138.52 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 34.3 tt0 -81.59 138.01 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 52.79 53.7 11.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.725 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -122.88 -163.69 11.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 9.3 mptt -73.9 -40.24 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -64.79 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 39' ' ' GLU . 6.8 tt0 -47.37 -46.51 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -42.06 -44.55 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -74.75 -94.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -170.48 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD23 ' HB1' ' A' ' 43' ' ' ALA . 24.0 tp -88.4 129.77 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -131.81 158.71 74.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.3 Cg_endo -74.97 121.74 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 118.07 -21.28 10.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 121.07 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.478 HG12 ' CG1' ' A' ' 33' ' ' ILE . 67.4 mt -78.43 110.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.29 109.83 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -76.84 -48.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.77 175.73 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.962 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.3 mt -135.62 101.76 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER 76.64 7.17 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.65 22.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.24 125.9 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -39.41 144.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -123.33 4.11 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -40.11 86.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 1.4 p30 -114.34 61.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.962 ' SD ' HD12 ' A' ' 57' ' ' ILE . 23.9 mtt -121.56 122.15 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.677 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.1 mt -69.24 151.47 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -52.41 -23.11 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.64 -25.91 18.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.677 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.1 mm-40 -72.01 -61.15 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.28 -32.43 66.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -67.75 -45.21 75.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.8 t -67.72 -56.67 8.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -44.29 -57.86 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 70' ' ' ALA . 5.7 mt -49.25 -55.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -43.0 75.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.95 -6.89 53.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -80.83 137.03 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.09 -166.06 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 94.2 p -116.43 139.33 25.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.98 161.65 94.42 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.026 -0.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 83' ' ' LEU . 3.2 tp -107.06 115.68 30.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.4 ttm180 -89.04 126.65 35.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 57' ' ' ILE . 73.5 mt -136.46 120.96 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.5 tt0 -87.31 114.22 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -99.96 141.24 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -96.68 101.08 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.14 105.62 15.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 t -122.63 89.1 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 132.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -139.04 152.66 22.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.62 15.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -118.27 72.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 t -164.36 130.52 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -177.34 113.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -104.68 93.97 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.33 -123.53 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.41 112.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 0.79 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.75 151.63 23.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.73 129.0 3.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -114.51 157.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 41.6 m -117.69 160.2 21.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 85' ' ' LEU . 13.1 t -115.71 153.43 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -131.73 89.71 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.38 155.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.7 101.08 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.62 -171.62 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.91 5.22 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.958 0.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.33 164.97 35.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.825 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.0 179.33 31.02 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.016 0.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 34.8 m95 -88.32 -53.26 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 107.986 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.96 32.3 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.5 p90 -144.82 149.24 35.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -109.9 -177.28 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.667 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.3 pt -149.91 172.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 8.1 t -144.11 -178.01 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.31 -134.01 45.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.93 -177.78 17.98 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -67.1 -36.75 82.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -60.54 -39.47 88.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 30' ' ' THR . 77.4 m-85 -95.34 11.91 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 51.34 21.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.569 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.8 p -117.29 158.57 44.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 142.92 28.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 54' ' ' ILE . 1.8 mm -66.24 105.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.19 145.56 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.93 135.88 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 38.4 p -98.19 -51.09 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 159.78 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' O ' ' A' ' 48' ' ' LEU . 94.6 t -142.73 112.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.4 m -53.04 121.59 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 7.9 tt0 -66.1 146.27 54.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' GLU . 8.0 mmt180 38.1 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -92.98 -148.95 24.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -89.68 -27.76 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -72.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -43.14 -29.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -60.19 -55.1 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -60.19 -72.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER 163.36 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.623 ' O ' HG11 ' A' ' 37' ' ' VAL . 22.7 tp -105.66 129.21 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -127.34 156.01 75.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.62 6.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 122.84 -30.21 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.01 140.97 19.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.7 mt -97.13 117.69 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 32' ' ' ILE . 23.4 mt -74.29 111.21 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -79.63 -46.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 60' ' ' GLN . . . -141.79 178.41 7.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.855 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.4 mt -135.52 103.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.685 ' OD1' HG22 ' A' ' 57' ' ' ILE . 1.2 m120 78.6 3.36 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.04 -3.91 16.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 7.1 tt0 -100.3 130.94 46.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -39.53 147.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -132.55 11.29 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.62 88.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -108.4 59.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.855 ' SD ' HD12 ' A' ' 57' ' ' ILE . 21.9 mtt -117.89 113.05 21.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -58.16 150.01 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.3 t60 -51.23 -22.69 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.2 -28.33 17.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.796 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.8 mm-40 -69.38 -57.28 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 32' ' ' ILE . . . -62.72 -29.11 70.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.7 mm-40 -74.41 -39.61 62.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 40.2 t -74.08 -46.71 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.11 -53.47 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.456 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 17.4 mt -56.95 -43.83 81.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -74.14 -12.92 60.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' SER . 5.5 mm-40 -110.97 4.37 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -77.45 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.8 160.7 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 24.8 t -90.98 135.7 28.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 161.82 94.08 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.03 -0.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -98.62 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.629 ' N ' HD22 ' A' ' 81' ' ' LEU . 6.5 mtt180 -86.42 139.68 30.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.704 HD11 HD11 ' A' ' 81' ' ' LEU . 86.5 mt -141.94 118.74 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.3 tt0 -85.86 111.06 19.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 10' ' ' VAL . 12.1 mt -98.7 150.85 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -106.76 100.7 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.13 104.23 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -142.77 81.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 127.91 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.52 180.0 20.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.61 14.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.01 -59.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.5 p -172.58 124.01 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.56 99.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -126.36 113.73 17.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.26 61.35 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -55.67 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 m 58.28 161.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.12 132.3 1.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -114.94 157.3 23.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 46.7 m -114.89 161.93 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 85' ' ' LEU . 9.9 t -122.18 148.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 88.07 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 ' CE3' ' A' ' 18' ' ' TRP . 6.8 t -72.47 156.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.89 97.94 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.48 -168.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.36 4.12 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.011 0.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.831 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -89.79 165.89 23.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.831 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.95 177.09 40.56 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.407 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 33.8 m95 -85.69 -60.0 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.9 37.8 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 5.1 p90 -144.3 152.34 40.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.7 mtt180 -112.93 -177.53 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 21' ' ' ARG . 12.0 pt -153.87 168.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.71 178.91 7.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.47 -138.52 48.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.75 179.19 19.59 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.09 -36.67 82.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.83 -39.32 91.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -95.7 12.05 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 50.45 25.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.6 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.4 p -123.44 159.68 53.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.95 144.24 30.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.487 1.783 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.33 104.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.6 mt -114.58 145.18 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' A' ' 50' ' ' PRO . 79.9 t -80.85 138.57 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 81.3 p -102.84 -49.38 3.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 157.07 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' CA ' ' A' ' 49' ' ' ARG . 28.7 t -143.7 103.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 17.8 m -47.32 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.18 140.21 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 43.52 39.29 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -101.0 -139.86 10.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 11.8 mmtm -90.54 -50.69 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -61.04 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -40.22 -40.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -44.56 -48.34 10.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.34 -78.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 171.82 41.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.3 tp -92.57 141.06 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.528 ' CA ' HG21 ' A' ' 37' ' ' VAL . 5.5 mtt-85 -141.46 157.38 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' ' HB ' ' A' ' 34' ' ' VAL . 18.5 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.52 -27.75 5.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' HD13 ' A' ' 85' ' ' LEU . 23.5 m-20 -55.06 124.08 15.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -80.86 111.94 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 32' ' ' ILE . 10.9 mt -71.05 109.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.87 -49.39 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.68 173.24 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.876 HD12 ' SD ' ' A' ' 65' ' ' MET . 63.0 mt -130.44 101.25 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 t-20 72.98 7.89 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.5 -10.94 12.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.7 OUTLIER -92.73 118.69 31.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.55 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.97 4.38 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.12 70.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 6.3 m-20 -122.19 58.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.7 mtt -119.22 121.91 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.1 mt -68.03 151.0 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.81 -21.94 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.65 -25.98 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.813 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.1 mm-40 -69.63 -57.55 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.8 -40.35 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.2 -47.33 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 18.7 t -66.24 -60.53 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -58.05 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.8 -49.67 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -63.64 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' SER . 7.6 mt-30 -102.34 10.86 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.682 ' OG ' HD13 ' A' ' 81' ' ' LEU . 4.5 t -93.79 134.76 35.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.44 -159.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 11.5 p -129.48 139.97 37.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.01 161.19 95.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.975 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD13 ' OG ' ' A' ' 77' ' ' SER . 2.5 tp -105.25 116.55 32.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -86.38 129.66 34.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 81' ' ' LEU . 77.0 mt -134.96 123.08 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.8 tt0 -91.12 122.58 33.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 10' ' ' VAL . 17.3 mt -110.44 140.08 45.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -98.3 100.94 12.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.61 101.2 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.2 t -128.05 109.95 12.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.45 163.87 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.11 159.71 35.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.12 42.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 144.47 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m 60.32 84.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 62.68 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.036 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -175.2 101.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.58 -115.96 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.098 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -45.46 150.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.2 138.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.0 127.83 9.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.81 157.62 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.0 m -114.41 161.73 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 85' ' ' LEU . 10.9 t -122.05 148.85 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.74 88.07 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 18' ' ' TRP . 21.8 t -78.54 156.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.78 88.96 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -56.24 -160.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.97 -165.36 4.1 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 -0.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -77.56 165.56 50.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.845 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 170.56 71.51 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CE2' HD22 ' A' ' 81' ' ' LEU . 54.0 m95 -85.22 -61.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' THR . . . 115.2 35.04 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 16.5 p90 -144.84 151.51 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.7 mtt180 -115.46 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.441 HD11 ' HG2' ' A' ' 71' ' ' GLN . 9.2 pt -136.36 174.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 35' ' ' THR . 2.7 t -151.2 -176.97 5.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.47 -137.18 45.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.48 175.09 19.56 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -59.1 -34.22 71.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.18 -46.45 87.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -87.05 9.65 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 54.62 28.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.581 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.3 p -128.78 160.51 62.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 144.53 30.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.52 101.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.3 mt -110.88 150.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 48' ' ' LEU . 99.5 t -87.76 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 23' ' ' SER . 5.5 p -90.05 -50.62 5.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 164.15 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' O ' ' A' ' 48' ' ' LEU . 88.1 t -143.68 96.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLY . 22.4 m -49.55 127.18 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 157.73 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.28 29.9 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -110.72 159.24 13.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.4 mptt -39.59 -47.39 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -56.55 -73.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -46.0 -37.9 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -45.86 -44.95 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.53 -79.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 41.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.885 ' O ' HG11 ' A' ' 37' ' ' VAL . 59.6 tp -91.23 132.45 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -133.33 158.73 74.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.95 9.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.69 -14.63 12.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.6 124.53 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 33' ' ' ILE . 75.5 mt -82.67 113.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.76 111.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -80.13 -49.1 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.44 170.06 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.942 HD12 ' SD ' ' A' ' 65' ' ' MET . 55.5 mt -130.06 101.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.83 7.14 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.59 -13.76 10.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.1 tp60 -91.43 120.87 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.64 147.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -126.53 12.49 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.94 -34.11 75.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -123.16 47.33 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.942 ' SD ' HD12 ' A' ' 57' ' ' ILE . 13.5 mtt -106.75 106.28 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.68 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.3 mt -51.12 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -63.02 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -21.98 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.68 ' HG3' HD12 ' A' ' 66' ' ' LEU . 11.3 mm-40 -70.73 -59.39 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.62 -39.27 76.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG2' HD11 ' A' ' 22' ' ' ILE . 21.3 mm-40 -61.96 -53.03 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -55.71 -58.08 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -56.35 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.9 mt -51.76 -41.82 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -39.08 92.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -99.44 36.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.751 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -109.93 127.73 54.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.05 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 98.6 p -111.62 140.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 161.52 94.67 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.989 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 77' ' ' SER . 5.1 tp -105.53 100.27 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' ASN . 2.6 ttm180 -71.0 133.9 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 57' ' ' ILE . 84.3 mt -138.69 119.33 14.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.5 tt0 -90.94 114.6 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.807 HD11 HG21 ' A' ' 10' ' ' VAL . 9.3 mt -101.0 142.17 32.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -95.72 100.83 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.68 106.42 11.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t -143.74 87.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.58 132.65 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.0 171.27 27.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.0 11.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.0 p -160.81 128.51 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 m -89.73 96.53 10.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -83.55 142.12 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.025 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -114.82 168.99 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.17 123.6 0.67 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.4 p -138.79 154.54 48.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -95.71 166.72 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.45 125.5 4.69 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.55 156.31 28.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 31.8 m -106.86 161.52 14.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 83' ' ' LEU . 7.7 p -136.75 146.02 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.43 109.9 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 18' ' ' TRP . 28.2 t -107.22 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -94.83 106.95 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -87.84 -104.44 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.01 177.12 40.48 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.46 158.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.09 168.89 76.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.934 -2.527 . . . . 0.0 110.982 0.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.633 ' CE3' HG12 ' A' ' 12' ' ' VAL . 58.4 m95 -94.61 -67.92 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 117.56 37.76 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 14.9 p90 -140.55 151.37 44.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -115.83 167.17 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.7 pt -134.51 173.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -146.34 179.52 7.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.33 -131.01 51.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 105.43 169.69 23.79 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' CD ' ' HB3' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -54.25 -38.37 65.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.83 -45.66 85.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -90.89 12.31 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.2 m170 52.69 30.27 8.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.5 p -129.13 159.72 67.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.98 144.13 29.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.757 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 54' ' ' ILE . 3.1 mm -66.34 102.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 ' HG2' ' A' ' 31' ' ' PRO . 5.8 mt -111.61 145.84 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.0 t -79.06 134.98 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.8 p -97.49 -50.86 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 160.43 31.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.473 HG11 ' O ' ' A' ' 48' ' ' LEU . 74.3 t -143.35 105.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 8.3 m -49.28 126.78 13.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 4.2 tp10 -74.22 141.69 45.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 47.05 34.98 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.721 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -103.42 -147.07 17.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.2 mmtm -85.93 -47.28 9.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -59.23 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -44.05 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -43.47 -51.18 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.0 38.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' HG11 ' A' ' 37' ' ' VAL . 48.8 tp -95.89 127.82 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 157.93 67.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.77 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 117.24 -28.31 7.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.133 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.78 128.94 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.46 HG12 ' CG1' ' A' ' 33' ' ' ILE . 70.5 mt -85.69 113.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 32' ' ' ILE . 40.1 mt -70.13 111.38 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.2 t -79.24 -48.87 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.6 172.38 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.8 HD12 ' SD ' ' A' ' 65' ' ' MET . 64.9 mt -131.81 101.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 71.59 8.61 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 -10.69 13.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.18 119.32 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 0.804 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.71 144.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.78 10.9 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.74 79.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' HB3' ' CD ' ' A' ' 26' ' ' ARG . 69.0 m-80 -123.22 57.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.8 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.7 mtt -113.14 124.89 53.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 69' ' ' GLU . 2.0 mt -65.8 151.2 47.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.11 -24.56 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.38 -27.05 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 4.7 mm-40 -68.48 -54.86 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -64.95 -48.43 74.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' GLN . 25.3 t -60.86 -58.14 9.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.06 -57.02 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.475 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 5.8 mt -53.17 -54.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -59.71 -18.54 43.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' SER . 4.0 mm-40 -114.58 24.46 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.732 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -101.38 123.91 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.13 176.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.6 p -106.73 140.05 20.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.54 94.63 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.01 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.732 HD13 ' OG ' ' A' ' 77' ' ' SER . 4.9 tp -111.0 104.42 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -79.55 128.33 33.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.693 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.6 mt -133.86 122.13 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.3 tt0 -86.09 121.52 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.37 139.17 43.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -97.09 101.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.58 106.11 16.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -134.07 78.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.81 171.44 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -131.23 160.12 23.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 m -128.41 130.7 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.37 130.29 42.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.11 161.53 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -127.96 171.21 12.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 -164.85 22.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -118.79 177.35 4.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 p -124.69 149.96 46.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.18 119.2 4.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -106.9 157.67 17.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.6 m -118.99 152.02 37.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 83' ' ' LEU . 7.2 p -116.63 155.77 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.87 94.91 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.39 155.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.13 99.0 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.92 -164.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.424 1.077 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 18.3 Cg_endo -75.0 -162.98 2.95 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.992 -0.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -93.36 166.26 16.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.851 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.99 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.549 ' CE2' HD22 ' A' ' 81' ' ' LEU . 24.2 m95 -79.58 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.61 38.32 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 13.4 p90 -145.28 145.23 31.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' C ' HG23 ' A' ' 22' ' ' ILE . 17.8 mtt180 -101.5 -177.69 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' C ' ' A' ' 21' ' ' ARG . 7.0 pt -154.49 174.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -151.97 177.22 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.84 -144.84 49.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.96 156.63 12.46 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 64' ' ' ASN . 2.5 tpm_? -39.32 -35.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -55.38 -58.24 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -84.72 12.8 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 m170 53.25 29.85 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.2 p -124.71 159.26 59.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.527 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.1 Cg_endo -75.0 143.35 28.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -66.13 101.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mt -109.57 146.47 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 50' ' ' PRO . 72.6 t -83.43 124.09 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -79.61 -56.92 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.15 145.94 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -124.77 129.34 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -50.49 109.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.37 154.75 4.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.79 29.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.708 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -102.97 -158.14 25.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 15' ' ' PRO . 3.2 mtmp? -74.48 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -43.65 -60.63 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -47.25 84.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -46.43 -38.19 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.55 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.49 29.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' HB1' ' A' ' 43' ' ' ALA . 26.4 tp -97.3 152.7 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -160.95 158.6 24.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.587 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.1 Cg_endo -75.04 129.32 12.2 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.88 -4.52 25.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CG ' HD13 ' A' ' 85' ' ' LEU . 8.6 m-20 -83.71 125.79 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 83.2 mt -82.96 111.36 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.09 109.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.74 -48.58 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.15 173.29 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.2 mt -133.84 101.35 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.431 HD22 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 72.94 11.97 5.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.09 -6.15 27.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -98.39 118.44 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.63 148.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 7.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.19 69.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 3.5 p30 -123.35 60.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 57' ' ' ILE . 28.6 mtt -121.4 120.31 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.5 mt -67.79 153.5 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.01 -21.44 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.56 -27.41 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.787 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -68.37 -56.84 7.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.72 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.25 -42.82 99.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.2 t -69.32 -54.69 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -57.47 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.8 mt -53.52 -44.07 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -66.16 -29.22 69.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.8 mt-30 -109.75 39.88 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.631 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -110.85 126.37 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.86 157.91 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 39.8 t -93.03 143.7 27.2 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.95 161.77 94.17 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 83' ' ' LEU . 3.0 tp -104.49 110.48 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ASN . 5.2 ttm180 -88.5 117.14 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.78 HD11 HD21 ' A' ' 81' ' ' LEU . 47.6 mt -123.07 118.17 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 23.4 tt0 -86.35 114.52 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 52' ' ' ASP . 15.9 mt -101.61 143.68 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.605 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.23 101.24 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -111.64 103.93 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t -116.55 82.57 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.74 167.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.0 -179.01 37.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.0 2.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.7 m -165.31 164.52 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 p -158.37 116.55 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.96 152.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 0.725 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -103.55 118.02 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.87 156.48 7.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -46.49 161.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -141.05 142.61 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.46 125.15 2.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.85 156.8 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 91.1 m -110.65 161.64 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 83' ' ' LEU . 13.5 p -136.63 155.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 96.56 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG12 ' CE3' ' A' ' 18' ' ' TRP . 25.1 t -90.64 99.29 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -90.61 102.8 15.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -85.39 -105.61 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.482 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 179.02 32.1 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.004 -0.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -38.93 157.45 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.01 171.74 66.56 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.037 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.695 ' CE3' HG12 ' A' ' 12' ' ' VAL . 59.9 m95 -97.87 -66.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.24 42.77 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 19.9 p90 -145.15 150.29 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -113.37 166.54 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.3 pt -137.18 166.65 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.21 176.86 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.981 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.69 -134.05 49.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 109.31 166.34 20.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 64' ' ' ASN . 1.3 tpm_? -51.04 -39.91 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 0.735 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -49.51 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -86.23 10.29 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.91 21.2 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.6 p -119.64 159.02 47.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.513 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.03 145.48 31.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.62 102.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.513 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -111.84 145.95 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -79.85 141.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.2 p -106.09 -50.53 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.35 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 48' ' ' LEU . 76.3 t -141.09 101.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m -47.97 125.08 8.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -75.15 144.78 42.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 52.51 20.21 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.13 -146.4 13.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.763 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 15.6 mmtm -88.7 -59.8 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -45.98 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ALA . 8.4 tm-20 -38.81 -44.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -44.85 -50.73 10.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -67.98 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 176.69 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 32.0 tp -95.06 126.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -126.17 158.77 65.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.25 -26.33 8.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.01 129.53 38.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 33' ' ' ILE . 88.6 mt -87.17 111.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.91 109.83 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -76.74 -47.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.91 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 68.0 mt -128.62 102.5 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 73.54 5.46 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.52 -4.53 13.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -100.08 117.54 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 143.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.98 2.8 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -26.6 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' CA ' ' HD2' ' A' ' 26' ' ' ARG . 4.1 p30 -127.26 53.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 24.9 mtt -116.6 122.11 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.4 mt -68.45 152.14 45.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -53.18 -21.3 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.06 -27.49 16.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.809 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.4 mm-40 -70.15 -59.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -57.75 -34.68 69.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -66.82 -46.41 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -64.11 -58.5 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -58.62 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 70' ' ' ALA . 4.1 mt -50.33 -49.74 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.46 78.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -97.24 24.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.812 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -99.05 121.52 41.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 172.04 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 29.2 t -101.7 139.97 20.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.01 161.39 94.94 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.959 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.812 HD13 ' OG ' ' A' ' 77' ' ' SER . 7.6 tp -110.08 103.63 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 ttt180 -78.02 133.94 37.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 57' ' ' ILE . 78.6 mt -140.72 120.64 13.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.8 tt0 -87.26 118.46 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.57 143.59 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.642 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -99.82 100.81 11.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -110.75 104.93 13.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.28 88.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 163.44 39.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -145.81 149.57 21.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -75.01 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' PRO . 0.5 OUTLIER 39.89 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.6 t -61.79 135.07 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -75.97 -57.63 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.98 145.94 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.43 -107.01 1.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p -70.73 131.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 m -138.24 81.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.98 120.85 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -112.97 156.65 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 92.8 m -111.42 161.48 16.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 47' ' ' ASP . 12.6 p -128.37 155.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.78 93.34 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -76.91 156.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.2 106.54 14.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.8 -167.18 7.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.7 3.72 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.008 -0.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -84.97 164.95 39.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.823 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.5 Cg_endo -74.99 168.36 77.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.057 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.755 ' CZ2' HD22 ' A' ' 81' ' ' LEU . 39.2 m95 -79.14 -49.57 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.36 15.79 7.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.2 p90 -132.89 146.51 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 -177.2 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 ' HG2' ' A' ' 71' ' ' GLN . 17.8 pt -149.28 173.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.596 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -150.83 176.74 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.17 -140.24 46.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 116.48 -173.68 14.84 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.456 HH21 ' CE1' ' A' ' 29' ' ' HIS . 5.1 tpt180 -67.7 -34.81 77.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.43 -53.66 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -82.12 8.23 11.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.456 ' CE1' HH21 ' A' ' 26' ' ' ARG . 12.0 m170 54.68 31.64 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.4 p -127.98 158.62 70.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 144.87 30.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -66.2 110.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.487 ' CG1' HG12 ' A' ' 53' ' ' ILE . 6.1 mt -117.45 148.88 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 50' ' ' PRO . 70.7 t -82.74 126.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.596 HG22 ' HB2' ' A' ' 23' ' ' SER . 29.3 p -84.97 -54.74 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 149.8 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.28 134.56 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 134.97 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -82.16 146.82 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 54.0 41.77 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.656 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -118.58 -141.74 6.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -84.42 -47.39 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB3' HG23 ' A' ' 37' ' ' VAL . . . -64.34 -70.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.64 -51.22 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -43.37 -46.86 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 10' ' ' VAL . 12.2 m-20 -172.6 35.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 20' ' ' PHE . 16.8 tp -99.27 147.22 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HA ' HG11 ' A' ' 37' ' ' VAL . 2.1 mtt180 -155.15 157.27 31.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.99 122.86 7.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.24 -13.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.41 135.69 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.4 mt -92.39 112.4 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.86 111.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.3 t -78.25 -47.54 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.33 175.82 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.896 HD12 ' SD ' ' A' ' 65' ' ' MET . 53.8 mt -131.05 101.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 t-20 70.0 9.07 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.8 -5.32 18.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -97.75 119.09 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' GLN . 4.6 p -38.7 147.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.04 5.0 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.9 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -127.76 54.22 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.896 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.4 mtt -114.21 117.43 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.766 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -64.12 151.07 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 16.2 t60 -51.89 -22.42 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.46 -27.25 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.2 mm-40 -70.29 -58.28 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -61.47 -35.76 78.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 22' ' ' ILE . 8.6 mm-40 -62.42 -50.99 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t -65.96 -55.99 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -46.34 -56.77 5.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' SER . 11.5 mt -50.47 -60.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.23 -56.81 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.91 -14.2 20.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.702 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -68.57 125.08 25.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.02 -176.01 4.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 78.3 p -109.7 140.7 22.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 161.26 95.2 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.949 0.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CZ2' ' A' ' 18' ' ' TRP . 9.4 tp -106.83 111.87 24.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 mtm180 -87.95 134.79 33.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 57' ' ' ILE . 82.9 mt -140.91 118.94 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.8 tt0 -85.96 117.14 24.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -103.13 147.17 27.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -102.4 100.88 11.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.54 105.83 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -150.43 92.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.81 -46.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.55 155.72 13.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.47 43.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.424 1.75 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 t -167.03 102.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m 56.71 167.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.76 -58.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -161.12 114.89 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.38 151.38 5.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -67.84 143.36 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -129.17 121.16 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.08 133.36 6.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.32 157.57 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 59.7 m -113.71 161.82 17.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 85' ' ' LEU . 15.5 t -121.28 154.62 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.21 88.26 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG11 ' CE3' ' A' ' 18' ' ' TRP . 29.8 t -74.98 140.71 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -107.95 93.48 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.11 -163.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.38 2.77 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.002 -0.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -85.64 165.94 32.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.844 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.99 178.6 33.98 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.021 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CE3' HG11 ' A' ' 12' ' ' VAL . 40.2 m95 -87.19 -61.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 112.92 36.95 1.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.452 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 11.0 p90 -144.62 151.04 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -115.89 167.83 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 16.0 pt -136.19 174.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.587 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.75 -179.42 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.53 -133.27 49.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.99 177.03 20.53 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -59.87 -54.84 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -80.1 5.11 15.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.8 m170 60.74 30.49 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 p -128.25 160.23 63.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 144.01 29.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.745 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.7 104.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.7 mt -113.72 148.46 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 48' ' ' LEU . 87.2 t -82.75 131.07 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.3 p -91.6 -50.94 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.07 161.84 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 48' ' ' LEU . 79.2 t -143.56 102.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.742 HG22 ' H ' ' A' ' 40' ' ' ARG . 43.6 m -47.47 129.49 13.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -81.12 7.4 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.742 ' H ' HG22 ' A' ' 38' ' ' THR . 4.5 mmt180 -149.9 49.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.27 -171.56 12.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.2 mptt -76.71 -32.12 57.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -54.72 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -45.52 46.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.53 -37.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.65 -96.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.03 32.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 34' ' ' VAL . 43.6 tp -85.39 128.4 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.41 158.75 68.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.39 8.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 -26.56 9.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.3 121.43 8.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 33' ' ' ILE . 84.2 mt -80.21 109.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.12 111.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.96 -48.18 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.32 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.974 HD12 ' SD ' ' A' ' 65' ' ' MET . 51.4 mt -129.04 101.6 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.2 m-20 70.75 7.73 6.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.93 -13.1 10.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -89.79 118.3 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -39.98 140.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.03 0.07 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -41.22 76.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -114.43 48.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.974 ' SD ' HD12 ' A' ' 57' ' ' ILE . 10.5 mtt -108.89 125.91 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -69.77 155.58 40.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.84 -21.16 27.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.648 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.94 -24.34 17.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.6 mm-40 -70.61 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -58.65 -26.99 64.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -73.99 -43.96 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 t -67.03 -55.36 14.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.41 -57.24 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -51.67 -52.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -61.95 -19.17 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -117.05 32.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.65 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -108.07 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.22 171.15 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 5.5 t -106.9 139.09 20.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.99 161.2 95.34 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.989 0.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.65 HD13 ' CB ' ' A' ' 77' ' ' SER . 0.8 OUTLIER -106.78 110.19 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.33 139.38 38.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 98.9 mt -142.14 116.5 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 55' ' ' VAL . 18.5 tt0 -87.16 109.8 19.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 10' ' ' VAL . 17.6 mt -95.61 146.98 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.632 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.28 101.23 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.97 105.6 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 t -156.15 83.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.35 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 157.78 20.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.67 34.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -174.6 140.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.04 95.78 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.07 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.11 164.77 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -57.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.87 94.79 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -59.06 139.93 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.47 165.91 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.58 124.46 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.52 156.95 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 65.7 m -110.72 161.91 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.817 HG21 HD11 ' A' ' 85' ' ' LEU . 10.2 t -122.72 155.74 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.33 88.46 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' CE3' ' A' ' 18' ' ' TRP . 12.7 t -77.7 132.72 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CG ' ' A' ' 42' ' ' LYS . . . -104.52 95.42 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -55.76 -161.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.4 2.47 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.035 -0.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.97 165.89 20.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.837 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.1 Cg_endo -75.05 167.18 81.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.968 -2.514 . . . . 0.0 110.981 0.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 27.4 m95 -76.94 -65.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.93 36.36 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 15.7 p90 -144.33 150.86 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -114.49 170.29 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 14.2 pt -139.63 167.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.3 -178.4 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' CA ' ' OG1' ' A' ' 30' ' ' THR . . . 55.79 -134.38 49.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.93 162.14 20.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -49.35 -34.15 15.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.83 -50.84 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -85.6 9.25 16.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m170 56.67 32.92 21.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' CA ' ' A' ' 24' ' ' GLY . 3.2 p -131.78 159.49 71.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.98 142.91 28.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mm -66.67 104.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.7 mt -115.11 146.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 48' ' ' LEU . 92.5 t -81.69 135.1 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 21.3 p -101.13 -48.74 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -122.36 152.81 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -141.74 97.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.725 HG22 ' H ' ' A' ' 40' ' ' ARG . 41.0 m -47.81 126.51 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.2 3.6 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.725 ' H ' HG22 ' A' ' 38' ' ' THR . 13.3 mmt180 -146.85 49.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.69 -166.55 12.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 5.5 mptt -83.85 -17.73 39.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.535 ' HB1' HD23 ' A' ' 48' ' ' LEU . . . -74.36 -72.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -41.83 -50.83 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.53 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.23 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.81 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.724 HD11 HG21 ' A' ' 34' ' ' VAL . 59.5 tp -90.74 140.91 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.38 156.85 74.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 121.64 6.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 33' ' ' ILE . . . 117.89 -19.1 11.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -61.78 125.17 22.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 89.7 mt -81.33 110.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.1 108.89 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.5 t -76.53 -48.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.53 10.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.954 HD12 ' SD ' ' A' ' 65' ' ' MET . 45.6 mt -131.55 101.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.1 t-20 72.3 7.88 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.52 -11.37 12.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -92.35 120.29 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLN . 1.6 m -39.22 141.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.5 4.16 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.53 -34.2 70.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -122.87 58.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.954 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.8 mtt -116.36 123.54 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.72 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.8 mt -68.92 150.23 47.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -51.01 -22.74 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.45 -29.0 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.72 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.8 mm-40 -69.69 -55.69 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -62.13 -29.09 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -73.54 -44.61 57.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLN . 20.3 t -64.62 -55.28 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -58.95 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -49.15 -51.32 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -28.19 69.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' SER . 3.4 mt-30 -107.04 31.93 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -107.87 126.29 52.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.39 -178.11 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 74.2 p -117.06 140.65 27.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.0 Cg_endo -75.05 161.37 94.95 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.958 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 77' ' ' SER . 1.3 tp -104.1 110.38 22.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -80.7 135.68 36.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ILE . 79.8 mt -137.73 116.55 12.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 17.7 tt0 -86.77 109.92 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 10' ' ' VAL . 12.9 mt -97.25 145.59 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.66 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.38 100.76 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -114.54 105.81 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -134.17 86.31 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -169.65 167.28 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.45 157.77 21.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.52 38.09 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.81 161.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -47.47 155.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.063 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -63.15 158.46 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.67 -55.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.74 77.07 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -115.11 168.74 9.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -141.83 145.46 34.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.7 125.74 2.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -104.58 157.21 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 94.7 m -116.11 158.35 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 83' ' ' LEU . 3.3 p -131.53 148.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.49 93.08 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.583 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 46.7 t -72.99 136.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.18 109.7 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -70.08 -166.21 5.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.99 -164.03 3.42 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.826 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -87.64 166.2 26.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.826 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -74.96 177.51 38.72 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.041 -0.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 15.5 m95 -87.01 -59.42 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 107.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.28 39.95 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 2.1 p90 -144.42 152.46 40.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -115.11 -179.18 3.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 8.2 pt -148.23 172.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -142.06 177.91 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.37 -134.83 52.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.1 161.11 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -51.05 -34.6 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.13 -45.62 93.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -86.64 3.41 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m170 57.15 39.68 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -136.33 161.27 63.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 138.67 23.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 22' ' ' ILE . 2.5 mt -69.65 107.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 51' ' ' GLY . 5.6 mt -115.22 144.88 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HD11 ' A' ' 48' ' ' LEU . 93.4 t -75.29 133.13 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 23' ' ' SER . 3.3 p -97.51 -48.97 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 154.42 45.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG2' HG11 ' A' ' 34' ' ' VAL . 58.6 t -138.59 107.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -47.49 130.97 14.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.345 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.08 140.24 40.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 46.11 37.69 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.83 -148.87 21.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -84.48 -42.42 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -64.15 -69.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -42.26 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.1 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' A' ' 12' ' ' VAL . . . -67.54 -88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 178.45 38.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.65 HD11 HG21 ' A' ' 34' ' ' VAL . 57.7 tp -96.14 139.23 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -138.99 158.73 69.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.16 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 114.65 -23.64 11.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 68.3 m-20 -58.44 127.93 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 31' ' ' PRO . 61.1 mt -84.28 115.71 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.75 115.34 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -87.78 -46.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.44 174.31 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.86 HD12 ' SD ' ' A' ' 65' ' ' MET . 60.7 mt -133.97 101.74 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 77' ' ' SER . 4.0 t-20 73.2 12.63 4.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.71 -10.48 27.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -93.75 120.71 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -39.38 139.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.983 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 65' ' ' MET . . . -119.19 7.66 11.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.35 -36.63 84.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -112.15 41.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.86 ' SD ' HD12 ' A' ' 57' ' ' ILE . 26.4 mtt -109.46 112.54 24.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -60.92 157.02 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 19.9 t60 -57.27 -21.35 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.32 -23.46 18.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.635 ' HG3' HD12 ' A' ' 66' ' ' LEU . 28.6 mt-10 -72.65 -64.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -57.35 -43.64 83.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 4.6 mm-40 -46.28 -52.76 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LYS . 14.4 t -73.4 -54.3 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.3 mmtt -38.45 -62.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 4.3 mt -42.57 -58.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' LYS . 4.2 mt-30 -85.72 -4.24 59.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.797 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.11 126.16 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 160.72 31.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 83.4 p -90.96 135.66 28.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.04 161.94 93.82 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.993 0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 ' OG ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -101.86 105.8 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.627 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 ttm180 -80.91 135.6 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 81' ' ' LEU . 61.2 mt -137.03 120.68 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.6 tt0 -86.18 115.57 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mt -103.31 146.06 29.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.567 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.85 101.42 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -107.92 104.96 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t -153.11 94.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.021 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.52 -43.06 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.02 -144.7 18.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -178.81 4.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.807 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 166.8 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 t -94.04 128.84 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 p -78.89 100.26 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -112.81 105.5 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.59 117.58 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -152.7 -54.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.33 128.38 40.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.65 134.39 3.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.19 157.72 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 82' ' ' ARG . 5.7 m -114.46 158.0 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.24 133.22 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.59 110.34 22.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -97.68 115.51 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 120.61 13.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -88.59 -165.04 40.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.2 Cg_endo -74.97 -162.55 2.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.96 -0.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -80.67 167.26 33.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.885 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -74.98 179.03 32.08 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.034 -0.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.88 ' CE2' HD22 ' A' ' 81' ' ' LEU . 33.5 m95 -91.64 -56.74 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 38' ' ' THR . . . 116.59 34.47 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 9.9 p90 -144.6 150.65 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 22' ' ' ILE . 63.8 mtt180 -107.7 -177.78 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' HG2' ' A' ' 71' ' ' GLN . 10.6 pt -153.04 169.42 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' HG22 ' A' ' 35' ' ' THR . 0.2 OUTLIER -145.49 -178.51 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.6 -138.24 46.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.45 178.46 17.56 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -68.41 -17.87 64.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.85 -45.75 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.25 10.93 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 59.51 24.21 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -122.34 158.45 55.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.567 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -74.97 149.03 36.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -70.3 100.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.567 HD11 ' HG2' ' A' ' 31' ' ' PRO . 3.8 mt -109.62 150.2 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -84.52 138.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' SER . 21.5 p -102.19 -51.38 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 153.84 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 48' ' ' LEU . 78.0 t -137.39 110.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 24.3 m -48.43 124.07 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -68.26 148.35 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' GLU . 4.0 mmp_? 38.2 41.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -105.6 -149.96 18.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -84.66 -52.03 6.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -56.89 -73.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -40.0 -53.7 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -43.35 -48.42 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.97 35.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 22.5 tp -101.0 129.35 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -131.27 163.16 51.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.91 11.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -36.92 3.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -45.83 129.26 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 33' ' ' ILE . 96.5 mt -88.06 111.82 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.18 107.28 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -78.2 -57.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.43 170.62 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.843 HD12 ' SD ' ' A' ' 65' ' ' MET . 65.2 mt -131.81 103.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.4 m-20 69.36 20.43 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.66 -7.35 53.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.67 117.94 31.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -39.86 146.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 55' ' ' VAL . . . -134.43 13.23 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -31.02 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -121.42 50.4 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.843 ' SD ' HD12 ' A' ' 57' ' ' ILE . 15.7 mtt -108.8 117.61 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.767 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -63.41 159.32 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 18.9 t60 -58.71 -23.09 59.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.77 -23.25 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.767 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.9 mm-40 -72.02 -60.86 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.99 83.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.672 ' HG2' HD11 ' A' ' 22' ' ' ILE . 9.0 mm100 -60.97 -43.22 99.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -72.33 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.3 mttp -57.37 -56.68 18.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' A' ' 18' ' ' TRP . 6.3 mt -50.37 -45.33 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.34 -46.69 75.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -95.13 33.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.754 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -95.6 127.38 41.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 143.74 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 1.2 p -88.83 149.34 43.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -75.02 162.05 93.61 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.005 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.88 HD22 ' CE2' ' A' ' 18' ' ' TRP . 18.9 tp -94.59 123.04 37.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.603 ' C ' HD13 ' A' ' 83' ' ' LEU . 4.6 ttm180 -117.46 96.89 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.06 124.45 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.2 tt0 -85.65 105.44 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 8' ' ' LEU . 4.5 mt -88.63 146.73 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.717 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -102.38 100.57 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -118.44 106.36 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -110.01 71.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -155.39 177.4 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.35 143.78 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t 68.91 -69.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.9 m -132.85 127.01 33.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -91.19 -58.21 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.714 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.58 164.45 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.44 128.84 3.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m 66.47 162.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 126.58 0.79 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.64 157.0 24.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 81.8 m -110.43 161.31 15.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LEU . 4.6 p -136.42 150.87 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 98.5 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 18' ' ' TRP . 12.3 t -96.62 106.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . . . -95.39 105.27 17.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 15' ' ' PRO . . . -84.93 -105.48 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.04 176.82 41.81 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.951 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -39.44 157.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 169.44 74.53 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.967 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.753 ' CE2' HD22 ' A' ' 81' ' ' LEU . 62.5 m95 -94.82 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.54 0.82 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 12.3 p90 -144.47 146.95 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -106.08 177.53 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 32' ' ' ILE . 9.4 pt -147.58 175.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.52 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -149.61 -179.54 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.6 47.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.94 157.53 14.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.37 -39.37 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.07 -55.04 31.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 80.5 m-85 -83.64 13.08 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 m170 53.09 34.07 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.0 p -133.33 159.73 71.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 144.27 29.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG23 HD12 ' A' ' 22' ' ' ILE . 2.8 mm -66.43 105.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG1' HG12 ' A' ' 53' ' ' ILE . 4.8 mt -112.43 145.98 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.4 t -82.8 125.53 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 23' ' ' SER . 2.8 p -81.97 -56.29 4.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -150.04 145.63 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.512 HG12 ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -125.54 123.2 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m -48.56 136.44 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.83 139.79 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 62.12 14.79 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.69 -150.38 5.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.691 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 13.0 mmtm -89.47 -47.1 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -56.08 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.75 -38.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -48.95 -53.81 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -170.39 33.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 27.1 tp -93.37 143.72 26.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.88 158.54 33.92 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 34' ' ' VAL . 18.3 Cg_endo -75.0 129.61 12.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.41 -7.58 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' OD1' ' NH2' ' A' ' 87' ' ' ARG . 37.2 m-20 -81.61 131.03 35.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 33' ' ' ILE . 60.4 mt -87.11 111.03 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.93 109.17 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.4 t -77.66 -48.32 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.92 169.14 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.99 HD12 ' SD ' ' A' ' 65' ' ' MET . 78.8 mt -131.37 101.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t-20 72.14 12.06 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.27 -11.14 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -94.07 117.39 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.91 144.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.18 9.6 11.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -37.02 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -120.94 56.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.99 ' SD ' HD12 ' A' ' 57' ' ' ILE . 19.4 mtt -115.49 121.53 42.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.789 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.6 mt -67.59 150.86 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 11.1 t60 -51.72 -22.1 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.34 -28.5 16.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.789 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.9 mm-40 -69.18 -56.17 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.76 77.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 14.6 mm-40 -66.32 -43.01 87.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -55.8 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.15 -57.36 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.29 -43.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -43.63 95.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -89.5 19.99 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.766 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -93.91 122.86 36.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.51 168.06 15.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 76.4 p -96.79 140.56 22.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.0 161.73 94.27 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.015 -0.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 ' CB ' ' A' ' 77' ' ' SER . 9.7 tp -111.05 106.26 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -81.22 125.63 30.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.668 ' O ' HG12 ' A' ' 10' ' ' VAL . 41.0 mt -131.63 117.45 18.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 55' ' ' VAL . 7.5 tt0 -86.36 115.27 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.62 144.29 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.608 ' HB2' HG22 ' A' ' 55' ' ' VAL . 1.2 t0 -99.34 101.14 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -108.41 103.55 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.84 79.65 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.8 172.51 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -132.42 -160.59 9.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.41 96.0 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.8 166.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.65 100.41 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -111.32 93.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.89 -171.19 45.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -171.61 160.81 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.016 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -74.1 171.65 13.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.5 132.04 6.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.59 157.31 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 26.1 m -119.8 159.57 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.998 HG11 HD23 ' A' ' 48' ' ' LEU . 2.4 p -129.65 153.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.01 96.72 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 18' ' ' TRP . 25.8 t -81.31 123.88 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.37 116.59 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -73.69 -167.51 14.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.02 -163.14 3.02 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.994 -0.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -83.55 166.41 34.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 177.82 37.37 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.988 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m95 -86.81 -51.71 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.06 33.5 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 5.6 p90 -144.61 149.42 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.2 mtm180 -112.44 -177.3 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 17.1 pt -148.02 165.71 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -138.55 -177.35 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.46 -134.26 38.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . 110.18 159.11 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HD3' ' CA ' ' A' ' 64' ' ' ASN . 1.9 tpt180 -44.33 -39.74 4.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.29 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 30' ' ' THR . 38.0 m-85 -89.65 8.6 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 56.09 37.63 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 28' ' ' PHE . 9.9 p -139.46 161.96 54.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 142.42 27.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 54' ' ' ILE . 3.2 mm -66.45 111.79 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' HG12 ' A' ' 53' ' ' ILE . 9.7 mt -120.45 145.72 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HD11 ' A' ' 48' ' ' LEU . 54.5 t -79.75 140.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.0 OUTLIER -113.73 -45.03 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.21 140.84 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CA ' ' A' ' 49' ' ' ARG . 55.9 t -142.61 105.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -47.68 126.92 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' GLY . 9.7 tp10 -74.81 146.06 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 40.33 28.77 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -96.59 -141.87 12.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -90.75 -46.26 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -61.98 -72.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -42.96 -54.54 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -48.72 -42.69 35.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . -63.05 -57.24 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER 157.74 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.998 HD23 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -40.75 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.747 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -168.48 156.81 7.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.75 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . 107.34 -20.42 32.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.36 128.35 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 31' ' ' PRO . 88.8 mt -81.12 110.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.733 HD12 HG22 ' A' ' 32' ' ' ILE . 52.7 mt -69.42 104.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 84' ' ' GLN . 1.6 t -71.38 -50.55 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.24 173.15 11.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' SD ' ' A' ' 65' ' ' MET . 87.9 mt -131.53 101.22 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 74.02 6.56 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 -12.95 10.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.438 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.8 tp60 -90.12 123.2 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -41.97 147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.33 -1.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -40.71 71.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' CA ' ' HD3' ' A' ' 26' ' ' ARG . 5.2 p30 -117.89 60.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.92 ' SD ' HD12 ' A' ' 57' ' ' ILE . 20.3 mtt -120.48 124.85 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.3 mt -71.54 152.54 42.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -53.72 -21.33 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 -27.76 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.807 ' HG3' HD12 ' A' ' 66' ' ' LEU . 2.2 mm-40 -68.74 -56.94 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -56.62 -44.36 81.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.4 t -70.46 -58.57 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -58.31 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 18' ' ' TRP . 14.5 mt -52.35 -34.97 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' SER . 12.2 ttt180 -72.67 -43.57 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -93.01 23.16 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.526 ' CB ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -89.67 134.28 34.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.75 175.4 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 79.3 p -113.59 141.35 25.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 162.16 93.4 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.001 0.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 77' ' ' SER . 4.2 tp -96.11 117.98 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 4.1 ttm180 -94.24 117.19 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.2 mt -119.45 118.34 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.4 tt0 -85.81 116.8 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 48' ' ' LEU . 12.9 mt -105.18 138.55 41.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.582 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -100.37 100.64 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.94 105.83 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 t -137.92 73.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -135.5 -67.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.39 -144.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.5 t -101.65 -53.14 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 t -98.81 169.06 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -155.9 80.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.979 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.71 130.55 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.81 126.62 7.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.52 125.05 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.57 162.74 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.38 129.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.65 157.21 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 97.9 m -115.15 161.12 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 83' ' ' LEU . 11.9 p -130.13 158.33 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.21 98.24 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -86.83 156.3 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.76 106.58 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 15' ' ' PRO . . . -66.53 -165.25 1.97 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 18.1 Cg_endo -75.04 -163.5 3.18 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.836 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -86.88 165.46 31.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.836 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.99 168.54 77.12 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 81' ' ' LEU . 46.9 m95 -79.5 -54.09 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.86 -0.95 10.01 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 22.5 p90 -115.54 146.77 41.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -109.49 -177.18 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.6 HD11 ' HG2' ' A' ' 71' ' ' GLN . 22.2 pt -150.08 176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -152.02 179.42 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.99 -139.71 47.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' THR . . . 112.54 162.7 15.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 HH21 ' CE1' ' A' ' 29' ' ' HIS . 1.5 tpt180 -46.6 -39.52 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 8.4 p-10 -55.95 -52.49 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -83.08 9.65 9.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.438 ' CE1' HH21 ' A' ' 26' ' ' ARG . 13.8 m170 55.85 25.95 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 1.8 p -126.25 158.89 65.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 149.62 36.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -70.15 108.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 53' ' ' ILE . 5.8 mt -117.75 144.78 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 50' ' ' PRO . 79.3 t -80.33 126.52 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 23' ' ' SER . 7.7 p -83.45 -55.65 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -153.29 150.46 28.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.603 ' CG1' ' HD3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -144.18 132.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -48.39 136.81 12.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -80.98 142.32 33.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 52.31 22.94 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.63 -138.53 6.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.1 mttp -85.75 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -51.27 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -37.96 -48.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . -46.32 -55.18 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 10' ' ' VAL . . . -55.01 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.49 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 85' ' ' LEU . 33.8 tp -103.75 150.31 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -155.87 156.97 31.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HD3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -7.88 13.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' CB ' HD13 ' A' ' 85' ' ' LEU . 8.7 m-20 -81.46 138.63 35.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 33' ' ' ILE . 78.9 mt -93.01 118.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 32' ' ' ILE . 32.0 mt -75.51 118.35 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -89.5 -45.96 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.38 171.15 14.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.922 HD12 ' SD ' ' A' ' 65' ' ' MET . 73.1 mt -132.86 101.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.447 ' ND2' ' OG ' ' A' ' 77' ' ' SER . 0.7 OUTLIER 73.04 9.63 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.4 -10.34 22.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 120.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.4 m -40.0 138.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.36 19.12 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -51.32 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -108.75 50.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.922 ' SD ' HD12 ' A' ' 57' ' ' ILE . 5.9 mtt -99.65 122.45 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.758 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -65.61 153.15 42.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 21.3 t60 -54.39 -21.9 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.18 -25.87 17.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.758 ' HG3' HD12 ' A' ' 66' ' ' LEU . 3.0 mm-40 -69.95 -59.05 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.98 -32.23 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.6 ' HG2' HD11 ' A' ' 22' ' ' ILE . 10.1 mm-40 -69.76 -45.65 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -59.3 -53.69 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mt -53.91 -50.42 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -49.57 76.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.72 -7.55 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.667 ' OG ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -71.22 121.65 18.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.36 173.73 8.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 30.6 t -101.36 139.56 20.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.97 161.24 95.24 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.008 -0.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -106.64 114.48 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.631 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.4 mtt180 -93.24 144.29 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.2 mt -142.55 117.74 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' VAL . 7.7 tt0 -85.4 114.71 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 48' ' ' LEU . 9.8 mt -102.81 152.35 21.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -105.3 101.05 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -130.42 113.37 14.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m -119.28 162.96 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.95 156.7 15.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 117.22 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 45.38 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.3 p -89.7 151.58 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.11 151.55 44.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -93.05 152.24 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.62 -88.6 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 59.79 160.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.79 142.5 23.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.74 128.87 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.578 HD21 HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -103.64 157.54 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 62.6 m -115.17 160.97 19.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 85' ' ' LEU . 22.0 t -126.49 155.45 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.95 94.45 3.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 80' ' ' PRO . 46.1 t -86.18 147.01 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.32 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.32 -167.38 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.71 3.72 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.027 -0.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 17' ' ' PRO . . . -90.41 164.52 26.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 18.4 Cg_endo -75.0 177.97 36.72 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.026 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.707 ' CE2' HD22 ' A' ' 81' ' ' LEU . 32.1 m95 -86.12 -50.7 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.36 32.13 2.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 18' ' ' TRP . 7.4 p90 -144.42 150.55 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 0.722 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -113.5 -177.24 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 22.6 pt -144.64 169.86 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.617 ' HB2' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -141.68 -178.19 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.77 -133.5 26.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.72 155.33 10.67 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -46.08 -33.3 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.37 -48.52 78.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -88.58 12.12 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 58.19 34.06 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.02 159.52 72.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.96 149.55 37.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 54' ' ' ILE . 2.7 mm -74.37 110.14 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' C ' ' A' ' 51' ' ' GLY . 4.2 mt -118.42 143.2 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.936 HG21 HD11 ' A' ' 48' ' ' LEU . 60.8 t -75.2 138.02 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 23' ' ' SER . 1.4 p -104.87 -47.86 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 147.19 46.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.608 HG21 ' CA ' ' A' ' 49' ' ' ARG . 88.0 t -143.73 110.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -54.59 127.98 30.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -73.9 141.73 46.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.85 34.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -101.82 -138.5 10.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -87.07 -54.2 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 48' ' ' LEU . . . -56.85 -70.41 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.15 -47.94 6.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -47.23 -44.12 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -86.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.16 37.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.936 HD11 HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -94.71 164.01 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.827 ' H ' HD13 ' A' ' 48' ' ' LEU . 6.6 mtt180 -173.92 155.55 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.31 13.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' C ' HG23 ' A' ' 33' ' ' ILE . . . 109.03 -18.81 30.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.7 125.37 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.796 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' PRO . 89.8 mt -79.64 110.86 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.571 HD12 HG22 ' A' ' 32' ' ' ILE . 48.1 mt -72.42 105.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.723 HG22 ' HB2' ' A' ' 86' ' ' ASP . 1.7 t -75.5 -47.97 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.56 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.72 HD12 ' SD ' ' A' ' 65' ' ' MET . 47.8 mt -128.58 101.13 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.8 t-20 72.81 5.81 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.0 -13.14 10.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CE ' ' A' ' 65' ' ' MET . 1.9 tp60 -91.3 119.93 31.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -40.74 140.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.56 10.66 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.23 99.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -115.35 53.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.72 ' SD ' HD12 ' A' ' 57' ' ' ILE . 12.4 mtt -109.1 125.88 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HG3' ' A' ' 69' ' ' GLU . 1.2 mt -72.51 150.5 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -53.27 -20.88 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.86 17.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.2 mm-40 -70.19 -58.97 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.75 93.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -46.71 -49.02 20.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' LYS . 42.2 t -75.96 -53.98 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' SER . 9.5 mmtm -39.97 -65.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 18' ' ' TRP . 9.1 mt -39.72 -55.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -50.64 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -67.32 -8.99 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -72.96 131.58 42.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.24 -179.46 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 80' ' ' PRO . 38.1 t -108.57 139.08 20.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 161.47 94.78 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.004 -0.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 ' CE2' ' A' ' 18' ' ' TRP . 5.3 tp -102.77 101.92 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 1.4 ttm180 -75.46 133.91 40.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -131.74 116.37 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.1 tt0 -90.16 102.94 15.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 10' ' ' VAL . 5.7 mt -92.89 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.723 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -101.83 100.67 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.94 102.66 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -138.04 81.74 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.3 172.49 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.61 166.3 12.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -86.68 167.5 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -106.26 122.17 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.985 . . . . . . . . 0 0 . 1 stop_ save_